SCHEMBL359219

SCHEMBL359219

CC(=O)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GSR P00390 1/20 0.41
FBP1 P09467 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL9893480 0.86 GSR (0.42) KMT2AMEN1MAPTNPSR1GSR
SCHEMBL74691 0.83 SRC (0.48) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL11602507 0.82 SRC (0.46) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL887039 0.82 SRC (0.46) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL5692151 0.82 GSR (0.42) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL11602886 0.82 SRC (0.46) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL1538911 0.82 CES2 (0.43) GSRFBP1CYP2D6SRCLMNA
SCHEMBL4423313 0.81 GSR (0.44) KMT2AMAPTNPSR1GSRCYP2D6
SCHEMBL11602890 0.80 GSR (0.41) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL5682414 0.80 GSR (0.41) GSRFBP1CYP2D6SRCLMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed
US-20230357267-A1 PROCESS FOR PREPARING RELUGOLIX AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2023-11-09 US disclosed
WO-2023214935-A1 PROCESS FOR PREPARING RELUGOLIX AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2023-11-09 WO disclosed
WO-2021047166-A1 METHOD FOR SYNTHESIZING TRANYLCYPROMINE INTERMEDIATE 凯特立斯(深圳)科技有限公司 2021-03-18 WO disclosed
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 US disclosed
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP disclosed
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 WO disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP 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
CN-101262867-A MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2008-09-10 CN disclosed
EP-1906952-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY Jenrin Discovery (US) 2008-04-09 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-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 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 (5 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KMT2A 489/4885MEN1 3464/4885MAPT 2760/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KMT2A 489/4885MEN1 3464/4885MAPT 2760/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KMT2A 489/4885MEN1 3464/4885MAPT 2760/4885
US-20230357267-A1 PROCESS FOR PREPARING RELUGOLIX AND INTERMEDIATES THEREOF PRMT8, PRMT7, PRMT1 KMT2A 166/4885MEN1 306/4885MAPT 4317/4885
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C KMT2A 2189/4885MEN1 4792/4885MAPT 2590/4885

“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.