SCHEMBL2493940

SCHEMBL2493940

Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.69
SMN1; SMN2 Q16637 9/20 0.69
NPC1 O15118 8/20 0.69
RAB9A P51151 8/20 0.69
TP53 P04637 7/20 0.69
ALDH1A1 P00352 7/20 0.64
XBP1 P17861 1/20 0.64
HIF1A Q16665 1/20 0.64
KDM4E B2RXH2 6/20 0.64
HPGD P15428 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HSD17B10 Q99714 4/20 0.64
ALOX15 P16050 1/20 0.64
ATM Q13315 1/20 0.58
AGPAT2 O15120 2/20 0.55
TSHR P16473 1/20 0.54
PTGS2 P35354 2/20 0.52
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50

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
SCHEMBL13281919 0.86 NPC1 (0.63) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4514393 0.85 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL28373720 0.84 RAB9A (0.61) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2133422 0.84 AGPAT2 (0.61) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL12861182 0.84 PTGS2 (0.60) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2489033 0.84 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2489015 0.82 RPS6KA3 (0.61) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2242897 0.82 MAPT (1.00) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL31631314 0.82 KDM6B (0.73) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2248620 0.82 KDM6B (0.73) MAPTSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178040-A2 INHIBITORS OF EWS-FLI1 UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-09-21 WO disclosed
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
EP-1807074-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2013-10-23 EP disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-8168653-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2012-05-01 US disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 WO disclosed
WO-2002036580-A9 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2003-02-13 WO disclosed
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS, INC. 2002-08-08 US disclosed
WO-2002036580-A2 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 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 (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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 MAPT 1342/4885SMN1; SMN2 3147/4885NPC1 2102/4885
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 4105/4885SMN1; SMN2 4744/4885NPC1 824/4885
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents GLI1, SHH, SMO MAPT 4799/4885SMN1; SMN2 4401/4885NPC1 2318/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 MAPT 2773/4885SMN1; SMN2 4514/4885NPC1 3197/4885
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO SHH, SMO, GLI1 MAPT 4728/4885SMN1; SMN2 4265/4885NPC1 2856/4885

“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.