SCHEMBL13626769

SCHEMBL13626769

CCN(CC)c1ccc(-c2cc(F)c(C=O)s2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
BACE1 P56817 2/20 0.35
ALDH1A3 P47895 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH3A1 P30838 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13140220 0.76 AR (0.37) CYP11B1CYP11B2BACE1HSD17B1HSD17B2
SCHEMBL13139806 0.76 NR1H4 (0.38) BACE1
SCHEMBL13140418 0.74 XDH (0.43) CYP11B1CYP11B2PGR
SCHEMBL13626959 0.73 AR (0.46) CYP11B1CYP11B2BACE1ALDH1A3MAPT
SCHEMBL13140012 0.73 AR (0.43) BACE1
SCHEMBL14184764 0.72 ALOX5AP (0.40) CYP11B1CYP11B2BACE1HSD17B1HSD17B2
SCHEMBL13139814 0.72 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A3HSD17B1HSD17B2
SCHEMBL13626793 0.70 PDE3B (0.46) ALDH1A3KDM4EALDH3A1ALDH1A1L3MBTL1
SCHEMBL13627106 0.69 FFAR4 (0.31)
SCHEMBL13123327 0.68 ALDH1A3 (0.43) CYP11B1CYP11B2ALDH1A3KDM4EMAPT

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 CYP11B1 889/4885CYP11B2 1043/4885BACE1 3973/4885

“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.