SCHEMBL2816705

SCHEMBL2816705

COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccccc3Cl)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
POLB P06746 3/20 0.57
PDE4D Q08499 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NQO2 P16083 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK14 Q16539 1/20 0.47
HPGD P15428 1/20 0.47
F10 P00742 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL2813529 0.87 MAPT (0.57) MAPTPOLBPDE4DNPC1RAB9A
SCHEMBL2817852 0.87 NPC1 (0.53) MAPTPOLBPDE4DNPC1RAB9A
SCHEMBL2815294 0.85 MAPT (0.50) MAPTPOLBNPC1RAB9ANQO2
SCHEMBL2816051 0.85 POLB (0.50) MAPTPOLBPDE4DNPC1RAB9A
SCHEMBL2817939 0.85 MAPT (0.56) MAPTPOLBPDE4DNPC1RAB9A
SCHEMBL4437658 0.84 MAPT (0.41) MAPTPOLBPDE4DNPC1RAB9A
SCHEMBL2816286 0.84 RAB9A (0.54) MAPTPOLBNPC1RAB9ANQO2
SCHEMBL2815613 0.83 NPC1 (0.57) MAPTPOLBNPC1RAB9ANQO2
SCHEMBL2816783 0.83 POLB (0.53) MAPTPOLBNPC1RAB9ANQO2
SCHEMBL2814683 0.82 NPC1 (0.58) MAPTPOLBNPC1RAB9ANQO2

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 MAPT 4813/4885POLB 3820/4885PDE4D 366/4885

“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.