SCHEMBL10094498

SCHEMBL10094498

CC(C)c1cccnc1-c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ RIPK1 Q13546 1/20 0.41
▸ CYP3A4 P08684 7/20 0.40
▸ CYP1A2 P05177 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL10094496 0.85 KCNA5 (0.52) CYP3A4KCNA5
SCHEMBL10094509 0.82 MKNK1 (0.54) TRPV1RIPK1CYP1A2ALDH1A1HPGD
SCHEMBL15723884 0.78 CYP1A2 (0.46) NCOA1NCOA3KDM5BRIPK1CYP3A4
SCHEMBL10094487 0.77 ALDH1A1 (0.52) TRPV1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10094242 0.75 GABRA1 (0.38) TRPV1CYP3A4CYP1A2ALDH1A1HPGD
SCHEMBL10094510 0.75 RIPK1 (0.53) TRPV1RIPK1MEN1KMT2ASMN1; SMN2
SCHEMBL10094460 0.75 SYK (0.45) TRPV1CYP1A2ALDH1A1HPGDCYP2D6
SCHEMBL10094579 0.74 GABRA1 (0.43) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL29857184 0.74 GABRA1 (0.43) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL10094462 0.74 TRPV1 (0.52) TRPV1CYP1A2ALDH1A1HPGDHSD17B10

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-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NCOA1 4320/4885NCOA3 4038/4885KDM5B 427/4885

“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.

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