SCHEMBL2451270

SCHEMBL2451270

CC(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.68
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.55
PTPRF P10586 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 2/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 3/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 2/20 0.48
CRHBP P24387 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2794528 1.00 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ANPC1TP53
SCHEMBL2797012 1.00 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ANPC1TP53
SCHEMBL19505660 0.86 SIGMAR1 (0.69) SIGMAR1MEN1KMT2ANPC1TP53
Methamphetamine SCHEMBL9114817 0.84 MEN1 (0.65) SIGMAR1MEN1KMT2ANPC1TP53
SCHEMBL19505485 0.83 SIGMAR1 (0.71) SIGMAR1MEN1KMT2A
N-Benzylamphetamine SCHEMBL2798189 0.82 SIGMAR1 (1.00) SIGMAR1CYP2D6CYP1A2LMNACYP3A4
N-Benzylamphetamine SCHEMBL2451256 0.82 SIGMAR1 (1.00) SIGMAR1CYP2D6CYP1A2LMNACYP3A4
N-Benzylamphetamine SCHEMBL2795222 0.82 SIGMAR1 (1.00) SIGMAR1CYP2D6CYP1A2LMNACYP3A4
SCHEMBL6238634 0.81 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23754496 0.81 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2PTPRFPTPN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-25 US disclosed
US-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-04-14 US disclosed
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2019-08-15 US disclosed
US-10308591-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-06-04 US disclosed
US-20190008802-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS The USA, as represented by the Secretary, Departme nt of Health and Human Services (US) 2019-01-10 US disclosed
US-10130594-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-20 US disclosed
EP-2544676-B1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS US HEALTH (US) 2018-09-19 EP disclosed
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2018-05-24 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
WO-2011112867-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2011-09-15 WO disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-07-01 US disclosed
EP-2064174-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2009-06-03 EP disclosed
WO-2008022038-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-02-21 WO disclosed
WO-2007005845-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-11 WO disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 SIGMAR1 341/4885MEN1 4799/4885KMT2A 4127/4885
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 SIGMAR1 1095/4885MEN1 3464/4885KMT2A 489/4885
US-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 SIGMAR1 341/4885MEN1 4799/4885KMT2A 4127/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 SIGMAR1 1095/4885MEN1 3464/4885KMT2A 489/4885
US-10308591-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 SIGMAR1 332/4885MEN1 4775/4885KMT2A 4171/4885
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 SIGMAR1 341/4885MEN1 4799/4885KMT2A 4127/4885
US-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 SIGMAR1 341/4885MEN1 4799/4885KMT2A 4127/4885
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885
US-20190008802-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885
US-10130594-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A SIGMAR1 364/4885MEN1 1120/4885KMT2A 3248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.