SCHEMBL7649140

SCHEMBL7649140

COc1ccc(-c2nn(-c3ccccc3)c(=O)n2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADORA2A P29274 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
ADORA3 P0DMS8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
ADORA1 P30542 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7652545 0.86 ADORA3 (0.49) NPC1RAB9AHPGDSMN1; SMN2ADORA2A
SCHEMBL7656264 0.86 ALDH1A1 (0.61) TP53RAB9AHPGDSMN1; SMN2ADORA2A
SCHEMBL7658278 0.85 MAPT (0.52) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL7657325 0.79 ADORA3 (0.54) TP53POLBADORA2AALDH1A1ADORA3
SCHEMBL7654505 0.78 HIF1A (0.48) TP53RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5817048 0.78 L3MBTL1 (0.52) TP53NPC1RAB9APOLBHPGD
SCHEMBL7659590 0.76 PPP1CA (0.50) TP53POLBL3MBTL1ALDH1A1NPSR1
SCHEMBL7652943 0.75 RPA1 (0.52) TP53NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL7682175 0.74 ALDH1A1 (0.55) NPC1RAB9AL3MBTL1ALDH1A1ADORA3
SCHEMBL7656052 0.74 ADORA1 (0.54) TP53NPC1RAB9AADORA2AALDH1A1

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 TP53 1825/4885NPC1 366/4885RAB9A 2795/4885

“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.