SCHEMBL4392862

SCHEMBL4392862

Nc1ccc2oc(C(=O)O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
NPC1 O15118 9/20 0.51
GFER P55789 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 10/20 0.48
MAPT P10636 9/20 0.48
TP53 P04637 8/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 6/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PIK3CB P42338 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL6209242 0.86 MAPT (0.51) RAB9ANPC1GFERRXFP1SMN1; SMN2
SCHEMBL29974587 0.81 RAB9A (0.64) RAB9ANPC1GFERRXFP1SMN1; SMN2
SCHEMBL210184 0.81 RAB9A (0.64) RAB9ANPC1GFERRXFP1SMN1; SMN2
SCHEMBL38651946 0.81 ESR2 (0.53) SMN1; SMN2KDM4EHSD17B10PIK3CBALDH1A1
SCHEMBL9757168 0.81 ESR2 (0.53) SMN1; SMN2KDM4EHSD17B10PIK3CBALDH1A1
SCHEMBL1906793 0.79 XDH (0.55) RAB9ANPC1RXFP1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11595567 0.79 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3640007 0.79 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3640998 0.79 DAGLA (0.56) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL29826477 0.79 XDH (0.55) RAB9ANPC1RXFP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605125-B2 Anticancer agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-10-20 US claimed
US-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-03-12 US claimed
US-20050096261-A1 Dna-binding polyamide drug conjugates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES ENTED BY THE SECREATARY, DEPARTMENT OF HEALTH & H (MD) 2005-05-05 US claimed
WO-2005032594-A2 ALKYLATORS LINKED TO POLYAMIDES AS DNA BINDING AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-14 WO claimed
WO-2003072058-A2 DNA-BINDING POLYAMIDE DRUG CONJUGATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO claimed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 EP disclosed
US-7605125-B2 Anticancer agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-10-20 US disclosed
US-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-03-12 US disclosed
US-20050096261-A1 Dna-binding polyamide drug conjugates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES ENTED BY THE SECREATARY, DEPARTMENT OF HEALTH & H (MD) 2005-05-05 US disclosed
WO-2005032594-A2 ALKYLATORS LINKED TO POLYAMIDES AS DNA BINDING AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-14 WO disclosed
WO-2003072058-A2 DNA-BINDING POLYAMIDE DRUG CONJUGATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO 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 (3 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-20050096261-A1 Dna-binding polyamide drug conjugates ZYX, BMX, CDYL RAB9A 4445/4885NPC1 1776/4885GFER 2780/4885
US-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES TOP2B, ZYX, TOP2A RAB9A 3139/4885NPC1 2966/4885GFER 2527/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ RAB9A 812/4885NPC1 4753/4885GFER 3834/4885

“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.