SCHEMBL2819798

SCHEMBL2819798

COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)c(C)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
NQO2 P16083 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 3/20 0.53
MAPT P10636 4/20 0.53
PLAU P00749 1/20 0.52
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPK14 Q16539 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL4448335 0.87 RAB9A (0.44) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816707 0.87 NPC1 (0.55) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816490 0.86 NPC1 (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816881 0.86 RAB9A (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2819808 0.85 MAPT (0.58) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816286 0.84 RAB9A (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL4555774 0.83 NTRK1 (0.51) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2814444 0.83 KMT2A (0.62) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2815254 0.82 POLB (0.65) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL6787762 0.79 RAB9A (0.62) RAB9ANPC1NQO2CASP3SENP7

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
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 RAB9A 1404/4885NPC1 3400/4885NQO2 856/4885

“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.