SCHEMBL12374601

SCHEMBL12374601

Cc1ccc(-n2c(C(C)C)nc3cc(C#N)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
ALDH1A1 P00352 3/20 0.40
CRBN Q96SW2 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
S1PR1 P21453 1/20 0.39
CYP2A6 P11509 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5AP P20292 4/20 0.38
GSK3B P49841 2/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CYP19A1 P11511 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL13749774 0.88 TRPV1 (0.49) TRPV1ALDH1A1CRBNKDM4EGLA
SCHEMBL2275698 0.82 TDP2 (0.48) TRPV1ALDH1A1USP2LMNANPSR1
SCHEMBL13750435 0.76 PDE10A (0.49) ALDH1A1CRBNKDM4ESMN1; SMN2
SCHEMBL12374600 0.75 SMN1; SMN2 (0.66) ALDH1A1CRBNKDM4EGAAESR1
SCHEMBL541056 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL20644538 0.71 S1PR1 (0.46) ALDH1A1KDM4EGLAGAAS1PR1
SCHEMBL13749761 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL22148669 0.69 ALDH1A1 (0.50) TRPV1ALDH1A1CYP2A6CYP19A1LMNA
SCHEMBL3666979 0.69 HSD17B10 (0.64) ALDH1A1KDM4ESMN1; SMN2USP2LMNA
SCHEMBL6026486 0.69 TRPV1 (0.56) TRPV1ALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 TRPV1 13/4885ALDH1A1 854/4885CRBN 4677/4885

“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.