SCHEMBL2815296

SCHEMBL2815296

COc1ccc(-c2cc(N)ccc2C(C)(C)C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
APP P05067 2/20 0.40

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
SCHEMBL2816297 0.84 ADORA2A (0.37) TDP1ALDH1A1KDM4EMAPTNPC1
SCHEMBL2815579 0.82 KDM4E (0.40) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL2816692 0.82 ALDH1A1 (0.38) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL2954914 0.76 ALDH1A1 (0.56) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL2814435 0.75 KDM4E (0.50) MAPK1ALDH1A1KDM4EMAPTNPC1
SCHEMBL10805501 0.74 TDP1 (0.58) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL415914 0.74 TDP1 (0.58) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL2817047 0.74 IMPDH2 (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29352352 0.73 TDP1 (0.61) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL453782 0.73 TDP1 (0.56) TDP1MAPK1ALDH1A1KDM4EMAPT

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 TDP1 4258/4885MAPK1 2373/4885ALDH1A1 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.