SCHEMBL7076400

SCHEMBL7076400

COc1ccc(N)c(N)c1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 5/20 0.39
EP300 Q09472 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38

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
SCHEMBL29181814 0.79 IDO1 (0.44) IDO1ALDH1A1EP300KAT8GAA
SCHEMBL29391175 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL22589694 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL6254407 0.75 GABRA1 (0.38)
SCHEMBL17253615 0.75 ALOX15 (0.38) ALDH1A1TSHRMEN1KMT2AHTR2A
SCHEMBL8509665 0.74 IDO1 (0.40) IDO1ALDH1A1EP300KAT8GAA
SCHEMBL6899084 0.74 CA12 (0.46) ALDH1A1CYP3A4HSD17B10MAPTMAPK1
SCHEMBL17253609 0.73 ALOX15 (0.37) GAASMN1; SMN2HTR2A
SCHEMBL28593066 0.73 SKP2 (0.43) IDO1ALDH1A1EP300KAT8GAA
SCHEMBL1498799 0.73 NOS3 (0.39) CYP3A4TDP1HSD17B10MAPTTHRB

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 IDO1 139/4885ALDH1A1 428/4885EP300 1143/4885

“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.