SCHEMBL2816692

SCHEMBL2816692

CC(C)(C#N)c1ccc(N)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MAOA P21397 1/20 0.36
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 3/20 0.35
PLAU P00749 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
MAPK1 P28482 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33

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 0.86 ADORA2A (0.37) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2815579 0.84 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2816192 0.83 AXL (0.45) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2815296 0.82 TDP1 (0.42) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2817047 0.79 IMPDH2 (0.46) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL27775706 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL27775735 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2813664 0.76 ADORA2A (0.42) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL2817377 0.76 AXL (0.46)
SCHEMBL10838619 0.75 CYP3A4 (0.41) ALDH1A1KDM4EHPGDHSD17B10PTGDR2

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 disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 ALDH1A1 1769/4885KDM4E 1395/4885HPGD 2027/4885

“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.