SCHEMBL2813664

SCHEMBL2813664

CC(C)(C#N)c1ccc(N)cc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
ADORA1 P30542 5/20 0.42
PIM1 P11309 2/20 0.42
KDM4E B2RXH2 7/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
GLA P06280 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNH2 Q12809 1/20 0.37
HCRTR1 O43613 1/20 0.36
HSD17B10 Q99714 3/20 0.36
GFER P55789 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
ADORA2B P29275 2/20 0.36

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
SCHEMBL2816692 0.76 ALDH1A1 (0.38) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL2817047 0.74 IMPDH2 (0.46) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL2816297 0.72 ADORA2A (0.37) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL33847 0.71 KCNH2 (0.53) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL2815579 0.71 KDM4E (0.40) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL2815583 0.70 ALDH1A1 (0.45) KDM4EMAPTALDH1A1GAAGLA
Hydrochloric Acid SCHEMBL6261430 0.70 KCNH2 (0.52) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL2816192 0.69 AXL (0.45) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL3530209 0.68 NPC1 (0.46) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL2819804 0.68 CYP3A4 (0.44) KDM4EMAPTALDH1A1GAAHPGD

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 ADORA2A 1642/4885ADORA1 784/4885PIM1 3754/4885

“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.