SCHEMBL2815460

SCHEMBL2815460

CC(C)(C#N)c1ccc(N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
AR P10275 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
RECQL P46063 2/20 0.35
ESR2 Q92731 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL604108 0.82 TSHR (0.50) TSHRCYP3A4ALDH1A1MAPK1AR
SCHEMBL9281964 0.82 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1ARSCN10A
SCHEMBL2817699 0.81 CYP3A4 (0.45) TSHRCYP3A4ALDH1A1MAPK1AR
SCHEMBL2811051 0.78 TSHR (0.50) TSHRCYP3A4ALDH1A1MAPK1AR
SCHEMBL30279249 0.78 ALDH1A1 (0.52) TSHRCYP3A4ALDH1A1MAPK1RECQL
SCHEMBL2963375 0.78 ALDH1A1 (0.52) TSHRCYP3A4ALDH1A1MAPK1RECQL
SCHEMBL17157437 0.78 AR (0.38) TSHRALDH1A1MAPK1ARSCN10A
SCHEMBL1626451 0.78 AR (0.41) TSHRALDH1A1ARSCN10AGAA
SCHEMBL4573170 0.77 AR (0.37) TSHRALDH1A1MAPK1ARSCN10A
SCHEMBL9612031 0.76 TSHR (0.48) TSHRCYP3A4ALDH1A1MAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG TSHR 19/4885CYP3A4 913/4885ALDH1A1 1769/4885

“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.