SCHEMBL4701762

SCHEMBL4701762

CCOC(=O)c1nn(-c2cccc(OC)c2)c(N)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
KDM4E B2RXH2 6/20 0.55
RIPK2 O43353 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ELANE P08246 3/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ADORA1 P30542 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL4038334 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL28335162 0.81 ALDH1A1 (0.60) ALDH1A1NPSR1HSD17B10HPGDALOX15
SCHEMBL20213756 0.80 ALDH1A1 (0.77) ALDH1A1NPSR1HSD17B10HPGDALOX15
SCHEMBL4703620 0.79 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL31117075 0.79 HTT (0.77) ALDH1A1HSD17B10HPGDALOX15SMN1; SMN2
SCHEMBL1353689 0.79 HTT (0.77) ALDH1A1HSD17B10HPGDALOX15SMN1; SMN2
SCHEMBL12335151 0.78 SMN1; SMN2 (0.54) ALDH1A1NPSR1HPGDRIPK2SMN1; SMN2
SCHEMBL4705069 0.78 MAPT (0.59) ALDH1A1NPSR1HSD17B10HPGDKDM4E
SCHEMBL7886436 0.77 ADORA1 (0.81) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL6070321 0.77 PDE4D (0.77) ALDH1A1NPSR1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 ALDH1A1 3054/4885NPSR1 132/4885HSD17B10 3918/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 ALDH1A1 2017/4885NPSR1 211/4885HSD17B10 2630/4885

“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.