SCHEMBL4702010

SCHEMBL4702010

CCOC(=O)c1nn(-c2ccccc2C)c(N)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 4/20 0.56
HSD17B10 Q99714 3/20 0.56
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
THRB P10828 1/20 0.47
ALOX15 P16050 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 1/20 0.46
ALOX12 P18054 2/20 0.45
CASP1 P29466 1/20 0.45
ADORA1 P30542 1/20 0.45

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 0.84 ALDH1A1 (0.74) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6340851 0.80 KDM4E (0.65) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL4700631 0.80 HPGD (0.67) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL4705138 0.78 ALDH1A1 (0.52) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL13219360 0.78 MAPT (1.00) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL4703620 0.77 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18172002 0.76 ALDH1A1 (0.72) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3699949 0.76 MAPT (0.53) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL4705069 0.76 MAPT (0.59) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17321555 0.76 TP53 (0.71) MAPTMAPK1ALDH1A1KDM4EHPGD

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 5 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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US 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 MAPT 2597/4885MAPK1 270/4885ALDH1A1 3054/4885
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 MAPT 3561/4885MAPK1 424/4885ALDH1A1 2017/4885

“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.