SCHEMBL2818704

SCHEMBL2818704

CCOc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 3/20 0.53
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 2/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
DHODH Q02127 1/20 0.48
MAPK14 Q16539 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2816013 0.84 MEN1 (0.60) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7292325 0.76 RAB9A (0.69) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7303145 0.76 RAB9A (0.69) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL4186685 0.76 MAPK14 (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2816004 0.75 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2819719 0.74 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL4020386 0.74 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6013689 0.73 MEN1 (0.70) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2816049 0.72 POLB (0.62) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2814248 0.72 KMT2A (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53

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 4813/4885MEN1 150/4885KMT2A 1767/4885

“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.