SCHEMBL2817987

SCHEMBL2817987

COc1ccc(C(=O)Nc2cc(Cl)c(C(C)(C)C#N)c(Cl)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.56
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPK14 Q16539 1/20 0.49
HPGD P15428 1/20 0.49
NQO2 P16083 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 2/20 0.47
PDE4A P27815 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
SCHEMBL2817852 0.86 NPC1 (0.53) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL2817939 0.84 MAPT (0.56) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL4441630 0.83 CPT1A (0.47) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL2816013 0.82 MEN1 (0.60) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL2815613 0.80 NPC1 (0.57) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL2813976 0.80 PDE4D (0.60) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL2816049 0.79 POLB (0.62) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL2816705 0.78 MAPT (0.57) PDE4DMAPTALDH1A1MEN1KMT2A
SCHEMBL2816286 0.78 RAB9A (0.54) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL2817574 0.78 NPC1 (0.54) MAPTALDH1A1MEN1KMT2APKM

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 claimed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US 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 PDE4D 366/4885MAPT 4813/4885ALDH1A1 1769/4885

“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.