SCHEMBL2814873

SCHEMBL2814873

COC(=O)c1ccc(OCc2ccncc2)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
NOX1 Q9Y5S8 2/20 0.55
PLK1 P53350 1/20 0.54
CTSK P43235 1/20 0.54
KMT2A Q03164 4/20 0.53
CSF1R P07333 1/20 0.53
TNFRSF1A P19438 1/20 0.53
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
SMPD1 P17405 1/20 0.51

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
SCHEMBL8891644 0.95 MAPT (0.60) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2815273 0.88 MRGPRX4 (0.71) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2063068 0.86 SMN1; SMN2 (0.73) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2801658 0.85 MAPT (0.72) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
Bicarbonate SCHEMBL5499350 0.83 SMN1; SMN2 (0.68) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
Bicarbonate SCHEMBL5499351 0.83 SMN1; SMN2 (0.68) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8889267 0.82 MRGPRX4 (0.64) SMN1; SMN2HPGDNPC1RAB9AMRGPRX4
SCHEMBL17835555 0.82 MAPT (0.57) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL17129585 0.82 MAPT (0.67) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2188210 0.81 SMPD1 (0.76) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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 SMN1; SMN2 4686/4885MAPT 4813/4885CYP1A2 704/4885

“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.