SCHEMBL17154240

SCHEMBL17154240

CC(C)Cc1ccc(Cl)cc1-c1cccc2c1CCNC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
PNMT P11086 2/20 0.40
CD44 P16070 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
NMT1 P30419 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
PRCP P42785 1/20 0.35
HTR2A P28223 2/20 0.34

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
SCHEMBL17154233 0.91 PRCP (0.46) S1PR1S1PR3HTR2CHTR2BPNMT
SCHEMBL17155199 0.86 PNMT (0.43) S1PR1S1PR3HTR2CHTR2BPNMT
SCHEMBL17154228 0.85 CD44 (0.45) S1PR1S1PR3HTR2CHTR2BPNMT
SCHEMBL19326980 0.78 CD44 (0.51) HTR2CHTR2BPNMTCD44PRCP
SCHEMBL17155489 0.77 PRCP (0.49) HTR2CHTR2BPNMTPRCPHTR2A
SCHEMBL23774332 0.75 HTR2C (0.52) HTR2CHTR2BPNMTCD44HTR2A
SCHEMBL17154231 0.71 HTR2C (0.51) HTR2CHTR2A
SCHEMBL15700254 0.70 CD44 (0.49) HTR2CHTR2BPNMTCD44CD274
SCHEMBL16154961 0.70 CD44 (0.49) S1PR1S1PR3PNMTCD44CD274
SCHEMBL16154968 0.69 PNMT (0.51) HTR2CHTR2BPNMTCD44PRCP

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-9388179-B2 N-substituted indazole sulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-07-12 US disclosed
US-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-10-08 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-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, SCN1A, SCN2B S1PR1 1620/4885S1PR3 1515/4885HTR2C 436/4885

“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.