SCHEMBL7074513

SCHEMBL7074513

CCOC(=O)c1nc2ccc(NC(=O)OC(C)(C)C)cc2n1CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.53
BRD4 O60885 4/20 0.41
RORC P51449 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
ATM Q13315 1/20 0.38
MC4R P32245 1/20 0.38
ABCB1 P08183 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8700660 0.79 ACSS2 (0.48) ACSS2RORCALDH1A1HPGDKDM4E
SCHEMBL24187367 0.71 BRD4 (0.50) BRD4ALDH1A1KDM4EHSD17B10
SCHEMBL16834503 0.71 ACSS2 (0.44) ACSS2BRD4RORCALDH1A1HPGD
SCHEMBL30782719 0.71 PPARG (0.56) ACSS2BRD4RORCATMPPARG
SCHEMBL7070906 0.70 TDP1 (0.51) BRD4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18678942 0.69 ACSS2 (1.00) ACSS2
SCHEMBL21623677 0.69 ADORA3 (0.39) ACSS2BRD4ADORA3ALDH1A1HSD17B10
SCHEMBL30529285 0.69 MAOB (0.52) ACSS2ALDH1A1KDM4EMAPTABCB1
SCHEMBL25260252 0.69 MAOB (0.52) ACSS2ALDH1A1KDM4EMAPTABCB1
SCHEMBL6170220 0.69 MAPT (0.55) ACSS2BRD4ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY NIKOLAIDES NICHOLAS (US) 2003-11-20 US disclosed
EP-1263736-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
WO-2001058878-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 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 (1 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-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY CBR3, BAK1, CBR1 ACSS2 856/4885BRD4 103/4885RORC 3644/4885

“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.