SCHEMBL2816595

SCHEMBL2816595

CC(C)(C#N)c1ccc(N)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
ADRB2 P07550 1/20 0.30
MDM4 O15151 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
SCHEMBL2815583 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL1684402 0.78 MAPT (0.39) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL30901480 0.78 MAPT (0.39) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL1345421 0.78 SLC6A2 (0.30)
SCHEMBL2819804 0.78 CYP3A4 (0.44) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL2816728 0.78 KDM4E (0.49) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL2814720 0.78 KIF11 (0.41) ALDH1A1KDM4EUSP2GAAGLA
SCHEMBL2814890 0.76 GAA (0.50) ALDH1A1KDM4EUSP2GAAMEN1
SCHEMBL22165426 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL2814705 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2MAPTGAA

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 4 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
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 ALDH1A1 1769/4885KDM4E 1395/4885USP2 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.