SCHEMBL10197823

SCHEMBL10197823

CNC(=O)C(=O)c1csc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MAPT P10636 3/20 0.41
CA2 P00918 1/20 0.41
FFAR2 O15552 1/20 0.40
MAOB P27338 1/20 0.40
CMA1 P23946 1/20 0.38
PKM P14618 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
SCHEMBL8290147 0.81 KEAP1 (0.56) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL8290149 0.80 CYP2A6 (0.56) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL10901085 0.79 NR4A2 (0.52) CYP2A6KEAP1NFE2L2MAPTCMA1
SCHEMBL2650447 0.78 KEAP1 (0.59) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL3180015 0.76 KEAP1 (0.54) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL10197927 0.76 CMA1 (0.61) MAPTMAOBCMA1PKM
SCHEMBL7495653 0.76 KEAP1 (0.54) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL7498066 0.73 CYP2A6 (0.49) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL8554891 0.73 KEAP1 (0.54) CYP2A6KEAP1NFE2L2MAPTCA2
SCHEMBL10978845 0.72 CYP2A6 (0.44) CYP2A6KEAP1NFE2L2MAPTCA2

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-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 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 (2 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885KEAP1 466/4885NFE2L2 3735/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885KEAP1 466/4885NFE2L2 3735/4885

“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.