SCHEMBL2817530

SCHEMBL2817530

COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccc(C(F)(F)F)cc3)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.50
MAPT P10636 7/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
DDR2 Q16832 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NQO2 P16083 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL2814683 0.89 NPC1 (0.58) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2817390 0.89 POLB (0.51) MAPTMEN1KMT2APOLBTP53
SCHEMBL2817842 0.89 MEN1 (0.58) MAPTMEN1KMT2APOLBTP53
SCHEMBL2815294 0.89 MAPT (0.50) MAPTMEN1KMT2APOLBTP53
SCHEMBL2813529 0.88 MAPT (0.57) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL2817108 0.85 MAPT (0.59) MAPTMEN1KMT2AKDM4ECYP2D6
SCHEMBL2820276 0.84 BRAF (0.51) MAPTMEN1KMT2AKDM4ECYP2D6
SCHEMBL2818037 0.84 ABL1 (0.54) MAPTMEN1KMT2APOLBTP53
SCHEMBL2818888 0.83 MAPT (0.48) MAPTMEN1KMT2AKDM4ECYP2D6
SCHEMBL2815613 0.83 NPC1 (0.57) MAPTMEN1KMT2AKDM4ECYP2D6

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 MCHR1 86/4885MAPT 4813/4885MEN1 150/4885

“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.