SCHEMBL7654505

SCHEMBL7654505

COc1ccccc1-c1nn(-c2ccccc2)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PRNP P04156 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
GFER P55789 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
UGCG Q16739 2/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL7656778 0.81 HIF1A (0.49) HIF1AALDH1A1KDM4EMAPTADORA3
SCHEMBL7649140 0.78 TP53 (0.58) ALDH1A1SMN1; SMN2KDM4EHPGDPTGS1
SCHEMBL7652545 0.78 ADORA3 (0.49) HIF1ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7656052 0.75 ADORA1 (0.54) ALDH1A1KDM4EAPOBEC3GUGCGMAPT
Dimethylamine SCHEMBL7655912 0.74 HIF1A (0.43) HIF1ALMNAALDH1A1HSD17B10KDM4E
SCHEMBL7658153 0.74 ADORA3 (0.51) HIF1ALMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7658278 0.74 MAPT (0.52) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL7656264 0.73 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7652914 0.72 LMNA (0.46) LMNAALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL6560817 0.72 HSD17B10 (0.57) LMNAALDH1A1HSD17B10SMN1; SMN2KDM4E

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 HIF1A 6/4885LMNA 1113/4885ALDH1A1 1654/4885

“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.