SCHEMBL2814435

SCHEMBL2814435

COc1cc(N)ccc1C(C)(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 6/20 0.44
GAA P10253 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NR4A1 P22736 1/20 0.40
LMNA P02545 2/20 0.38
HTR2A P28223 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
CYP19A1 P11511 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
DHODH Q02127 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
SCHEMBL11708277 0.81 CA12 (0.48) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL10840661 0.80 MAPT (0.52) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL396413 0.80 MAPT (0.52) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL27939162 0.79 NR3C2 (0.41) KDM4EAR
SCHEMBL3535344 0.79 TRPV4 (0.45) KDM4EALDH1A1MAPTCYP19A1HPGD
SCHEMBL4573303 0.79 PYCR1 (0.37) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL2815583 0.77 ALDH1A1 (0.45) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL2815296 0.75 TDP1 (0.42) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL2816595 0.75 ALDH1A1 (0.33) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL2814720 0.75 KIF11 (0.41) KDM4EALDH1A1USP2GAATSHR

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.