SCHEMBL894748

SCHEMBL894748

COc1ccccc1C([NH])=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.59
CTSD P07339 1/20 0.58
HTT P42858 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 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
SCHEMBL870484 0.82 CTSD (0.62) STAT3CTSDHTTNPC1RAB9A
SCHEMBL29658169 0.82 CTSD (0.62) STAT3CTSDHTTNPC1RAB9A
SCHEMBL322168 0.82 CTSD (0.62) STAT3CTSDHTTNPC1RAB9A
SCHEMBL3556531 0.82 NPC1 (0.53) HTTNPC1RAB9ACA12CA1
SCHEMBL29365231 0.80 HTT (0.78) STAT3CTSDHTTNPC1RAB9A
SCHEMBL3527 0.80 HTT (0.78) STAT3CTSDHTTNPC1RAB9A
SCHEMBL29432808 0.80 SMN1; SMN2 (0.68) STAT3CTSDHTTNPC1RAB9A
SCHEMBL27789892 0.80 CTSD (0.60) STAT3CTSDHTTNPC1RAB9A
SCHEMBL54071 0.80 SMN1; SMN2 (0.68) STAT3CTSDHTTNPC1RAB9A
SCHEMBL49886 0.80 CTSD (0.60) STAT3CTSDHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248472-A Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2021-08-13 CN claimed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
EP-0790239-B1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER (US) 2001-09-12 EP claimed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP claimed
EP-1085895-A1 BRADYKININ ANTAGONISTS Advanced Medicine, Inc. (US) 2001-03-28 EP claimed
WO-1999064039-A1 BRADYKININ ANTAGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US claimed
US-5861402-A BRADYKININ ANTAGONISTS USEFUL FOR THE TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, COMMON COLD, ALLERGIES, ASTHMA, PANCREATITIS, BURNS, VIRUS INFECTION, HEAD INJURY, MULTIPLE TRAUMA PFIZER PHARMACEUTICALS, INC. (JP) 1999-01-19 US claimed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
EP-0790239-A1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER INC. (US) 1997-08-20 EP claimed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP claimed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO claimed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO claimed
US-4942232-A FOR PRINTING AND DYEING CELLULOSE FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-07-17 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 STAT3 1080/4885CTSD 3414/4885HTT 4654/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 STAT3 1080/4885CTSD 3414/4885HTT 4654/4885

“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.