SCHEMBL4097033

SCHEMBL4097033

CCc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CDC25B P30305 1/20 0.52
CASP6 P55212 1/20 0.52
RCE1 Q9Y256 1/20 0.52
IKBKB O14920 2/20 0.49
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
PARP1 P09874 1/20 0.43
TRPA1 O75762 1/20 0.41
PDK2 Q15119 1/20 0.40
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL20670595 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL648210 0.85 ALDH1A1 (0.72) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL24574268 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL29700063 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL10818516 0.84 IKBKB (0.45) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL9041416 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL22445528 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL27663595 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL221403 0.81 ALDH1A1 (0.81) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL17058417 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EMAPTGAA

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
CN-105198786-A Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof INST MED BIOTECHNOLOGY CAMS 2015-12-30 CN disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 ALDH1A1 4857/4885HSD17B10 4195/4885KDM4E 1626/4885

“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.