SCHEMBL7652867

SCHEMBL7652867

Cc1ccccc1-n1nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.46
TNKS O95271 2/20 0.42
PARP1 P09874 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
MGLL Q99685 1/20 0.39
BTK Q06187 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
ADORA2A P29274 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
SCHEMBL7649183 0.85 CDK4 (0.43) ALDH1A1TSHRTNKSPARP1TNKS2
SCHEMBL182013 0.85 ALDH1A1 (0.50) ALDH1A1TSHRPOLBNR1H4KDM4E
SCHEMBL7654102 0.83 ADORA2B (0.41) ALDH1A1TSHRTNKSPARP1TNKS2
SCHEMBL7654345 0.81 GAA (0.40) ALDH1A1TNKSPARP1TNKS2MAPT
SCHEMBL7650490 0.81 MAPK11 (0.40) ALDH1A1TNKSPARP1TNKS2KDM4E
SCHEMBL7652334 0.81 HCAR1 (0.39) TNKSPARP1TNKS2POLBL3MBTL1
SCHEMBL7657329 0.81 ADORA3 (0.54) ALDH1A1TNKSTNKS2MAPTGAA
SCHEMBL9052724 0.80 KMT2A (0.43) ALDH1A1TSHRMAPTKDM4EALOX15
SCHEMBL7650664 0.78 ADORA3 (0.44) ALDH1A1TSHRTNKSPARP1TNKS2
SCHEMBL7652937 0.78 TNKS (0.47) ALDH1A1TNKSPARP1TNKS2POLB

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 ALDH1A1 1654/4885TSHR 206/4885TNKS 607/4885

“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.