SCHEMBL2817047

SCHEMBL2817047

CC(C)(C#N)c1ccc(N)cc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
CYP2A6 P11509 2/20 0.38
KCNH2 Q12809 1/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE3A Q14432 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32

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 0.79 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2816297 0.78 ADORA2A (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2815579 0.77 KDM4E (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2816192 0.75 AXL (0.45) CYP2A6TDO2MEN1KDM4EALDH1A1
SCHEMBL2815296 0.74 TDP1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2813664 0.74 ADORA2A (0.42) KCNH2TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL2817377 0.71 AXL (0.46) PDE3AAURKBLRRK2
SCHEMBL145993 0.71 KCNH2 (0.55) IMPDH2CYP2A6KCNH2TDO2MEN1
Hydrochloric Acid SCHEMBL6740203 0.70 KCNH2 (0.53) IMPDH2CYP2A6KCNH2TDO2MEN1
SCHEMBL2815583 0.70 ALDH1A1 (0.45) CYP2A6NPC1RAB9AMEN1KMT2A

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 IMPDH2 3984/4885CYP2A6 815/4885KCNH2 1073/4885

“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.