SCHEMBL2816728

SCHEMBL2816728

CC(C)(C#N)c1ccc(N)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
AR P10275 8/20 0.33
MDM4 O15151 1/20 0.33
MCL1 Q07820 1/20 0.30

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
SCHEMBL397540 0.85 KDM4E (0.52) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30279017 0.85 KDM4E (0.52) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2815583 0.79 ALDH1A1 (0.45) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2819804 0.78 CYP3A4 (0.44) KDM4EALDH1A1USP2MAPTHPGD
SCHEMBL2816595 0.78 ALDH1A1 (0.33) KDM4EALDH1A1USP2MAPTMEN1
SCHEMBL2814720 0.78 KIF11 (0.41) KDM4EALDH1A1USP2GAAGLA
SCHEMBL17157519 0.78 MAOB (0.36) LMNAGAAARMCL1
SCHEMBL324114 0.77 GLA (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30084901 0.77 GLA (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2814890 0.76 GAA (0.50) KDM4EALDH1A1USP2HPGDMEN1

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 KDM4E 1395/4885ALDH1A1 1769/4885USP2 3168/4885

“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.