SCHEMBL17154235

SCHEMBL17154235

CC(C)Cc1ccc(Cl)cc1/C=C/CN

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 2/20 0.32
MET P08581 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
IDO1 P14902 3/20 0.31
SLC6A4 P31645 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30

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
SCHEMBL17155155 0.82 ERN1 (0.34) HTR2ASLC6A2LMNAIDO1SLC6A4
SCHEMBL16154966 0.78 LMNA (0.41) PNMTSLC6A2SLC6A3HTTMET
SCHEMBL17154229 0.77 GABRA1 (0.41) HTR2ASLC6A2SLC6A3SLC6A4GABRA1
SCHEMBL14904818 0.75 CYP3A4 (0.44) HTR2AIDO1SLC6A4
SCHEMBL28248305 0.72 CYP3A4 (0.48) PNMTHTR2ASLC6A2SLC6A3HTT
SCHEMBL2659771 0.70 IDO1 (0.54) SLC6A2SLC6A3HTTLMNATP53
SCHEMBL9967758 0.69 MC4R (0.39) PNMTHTR2AHTTSMN1; SMN2IDO1
SCHEMBL23435078 0.67 CYP3A4 (0.46) PNMTHTR2ASLC6A2SLC6A3HTT
SCHEMBL13154395 0.67 MC4R (0.40) PNMTHTR2ASLC6A2SLC6A3TP53
SCHEMBL21910193 0.67 GABRA1 (0.48) SLC6A2SLC6A3HTTLMNATP53

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 PNMT 3290/4885HTR2A 693/4885SLC6A2 258/4885

“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.