SCHEMBL2813669

SCHEMBL2813669

CC(Cn1nc(C(=O)O)c2ccccc21)(C(N)=O)c1ccc(N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CFD P00746 7/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PTGER4 P35408 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
STAT1 P42224 1/20 0.34
ELANE P08246 1/20 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
SCHEMBL2817667 0.86 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2818031 0.79 ROCK1 (0.46) MEN1KMT2AMAPTPOLB
SCHEMBL6954755 0.74 TSHR (0.52) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31429392 0.73 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL15881986 0.73 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2815481 0.71 ROCK1 (0.47) MEN1KMT2AMAPTPOLB
SCHEMBL29805363 0.69 HTR3A (0.55) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2815569 0.68 HDAC3 (0.46) CYP3A4TSHRPOLBELANE
SCHEMBL19779995 0.67 TSHR (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2081436 0.67 TSHR (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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 1 patent. 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

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 CYP1A2 704/4885CYP3A4 913/4885CYP2D6 1119/4885

“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.