SCHEMBL13626959

SCHEMBL13626959

N#Cc1cc(-c2cc(F)c(C=O)s2)ccc1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A3 P47895 3/20 0.35
TBK1 Q9UHD2 3/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL13626793 0.90 PDE3B (0.46) ARALDH1A1SMN1; SMN2LMNAALDH1A3
SCHEMBL14531195 0.80 GRIA2 (0.43) ARALDH1A1LMNACYP11B1CYP11B2
SCHEMBL14531110 0.79 GRIA2 (0.42) ARALDH1A1LMNACYP11B1CYP11B2
SCHEMBL13140220 0.77 AR (0.37) ARCYP11B1CYP11B2BACE1
SCHEMBL14184764 0.75 ALOX5AP (0.40) CYP11B1CYP11B2PDE3BPDE3ABACE1
SCHEMBL13140418 0.74 XDH (0.43) ARCYP11B1CYP11B2
SCHEMBL13139806 0.74 NR1H4 (0.38) BACE1
SCHEMBL13140012 0.74 AR (0.43) ARPDE3BPDE3ABACE1
SCHEMBL13626769 0.73 CYP11B1 (0.36) ALDH1A1CYP11B1CYP11B2ALDH1A3MAPT
SCHEMBL13139814 0.73 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A3

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 AR 4192/4885ALDH1A1 424/4885SMN1; SMN2 1848/4885

“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.