SCHEMBL4418893

SCHEMBL4418893

NC(=O)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
HPGD P15428 7/20 0.65
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
BCAT2 O15382 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL6236939 0.95 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25845878 0.89 BCAT2 (0.59) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL70639 0.86 ALDH1A1 (1.00) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8030987 0.85 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11142367 0.83 ALDH1A1 (0.74) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12359037 0.83 ALDH1A1 (0.75) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL457785 0.83 ALDH1A1 (0.75) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL322211 0.83 ALDH1A1 (0.93) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4723602 0.82 ALDH1A1 (0.80) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30281308 0.82 ALDH1A1 (0.80) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed
US-7365088-B2 Indazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
EP-1628972-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP claimed
JP-2006500348-A 2006-01-05 JP claimed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP claimed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US claimed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO claimed
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP disclosed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US disclosed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 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 (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-20040235824-A1 Indazole-derivatives as factor Xa inhibitors F11, F12, F5 ALDH1A1 1259/4885HPGD 678/4885NPC1 1730/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 ALDH1A1 4215/4885HPGD 1261/4885NPC1 4580/4885

“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.