SCHEMBL2819804

SCHEMBL2819804

CC(C)(C#N)c1ccc(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 6/20 0.35
ALOX15 P16050 2/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE7A Q13946 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
RAD52 P43351 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2814842 0.85 CYP3A4 (0.43) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL837308 0.81 TSHR (0.52) CYP3A4TSHRHSD17B10TDP1MEN1
SCHEMBL27776101 0.80 CYP3A4 (0.50) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL2815583 0.79 ALDH1A1 (0.45) CYP3A4TSHRALDH1A1ALOX15THRB
SCHEMBL3953889 0.78 TAAR1 (0.51) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL3781096 0.78 CYP3A4 (0.52) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL8128654 0.78 CYP3A4 (0.52) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL2816595 0.78 ALDH1A1 (0.33) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL9458157 0.78 IDO1 (0.33) CYP3A4TSHRTDP1
SCHEMBL2814720 0.78 KIF11 (0.41) TSHRALDH1A1KDM4EGAAPOLB

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 CYP3A4 913/4885TSHR 19/4885CA1 4540/4885

“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.