SCHEMBL13626608

SCHEMBL13626608

CN(CCO)c1ccc(-c2ccc(C=O)s2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PGR P06401 1/20 0.38
APP P05067 1/20 0.36
PRF1 P14222 1/20 0.36
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
XDH P47989 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL14530828 0.82 XDH (0.41) XDHHSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL21037327 0.76 APP (0.52) MAPTPGRAPPPRF1CYP2E1
SCHEMBL13004388 0.75 HSD17B1 (0.51) MAPTPGRAPPPRF1CYP2E1
SCHEMBL13123372 0.73 XDH (0.36) XDH
SCHEMBL12128119 0.72 MAPT (0.47) MAPTPGRAPPPRF1CYP2E1
SCHEMBL4345222 0.71 XDH (0.40) CYP2C9XDHHSD17B1HSD17B2ALDH1A1
SCHEMBL21036842 0.71 DPP4 (0.41) MAPTPGRAPPPRF1CYP2E1
SCHEMBL30112105 0.70 MAPT (0.47) MAPTPGRAPPPRF1CYP2E1
SCHEMBL30112143 0.70 MAPT (0.47) MAPTPGRAPPPRF1CYP2E1
SCHEMBL4333516 0.70 HSD17B2 (0.38) MAPTCYP2C9XDHHSD17B1HSD17B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612108-B2 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2009-11-03 US disclosed
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2008-01-31 US 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-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy XDH, UACA, NUDT1 MAPT 1064/4885PGR 3420/4885APP 3174/4885

“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.