SCHEMBL7652334

SCHEMBL7652334

O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 4/20 0.39
MGLL Q99685 1/20 0.39
BTK Q06187 1/20 0.39
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
PARP1 P09874 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
OPRM1 P35372 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TYMP P19971 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL7650490 0.81 MAPK11 (0.40) HCAR1MGLLBTKTNKSTNKS2
SCHEMBL7652867 0.81 ALDH1A1 (0.48) HCAR1MGLLBTKTNKSTNKS2
SCHEMBL7654345 0.81 GAA (0.40) HCAR1MGLLBTKTNKSTNKS2
SCHEMBL7654102 0.80 ADORA2B (0.41) HCAR1MGLLBTKTNKSTNKS2
SCHEMBL7650664 0.78 ADORA3 (0.44) BTKTNKSTNKS2PARP1NPC1
SCHEMBL7657329 0.78 ADORA3 (0.54) HCAR1MGLLTNKSTNKS2ADORA2A
SCHEMBL7651289 0.74 MAPT (0.44) TNKSTNKS2CYP1A1CYP1B1OPRM1
SCHEMBL7649183 0.74 CDK4 (0.43) HCAR1TNKSTNKS2PARP1OPRM1
SCHEMBL7652937 0.72 TNKS (0.47) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL7654423 0.72 ALDH1A1 (0.47) TNKSTNKS2NPC1RAB9AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 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 (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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN HCAR1 1950/4885MGLL 4482/4885BTK 4848/4885

“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.