SCHEMBL13626791

SCHEMBL13626791

N#Cc1cc(-c2ccc(C=O)s2)ccc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ AR P10275 2/20 0.48
▸ XDH P47989 1/20 0.46
▸ PRKDC P78527 4/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ PRF1 P14222 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ TBK1 Q9UHD2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39

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 0.81 PDE3B (0.46) PDE3BPDE3AARXDHPRKDC
SCHEMBL16312946 0.81 XDH (0.54) PDE3BPDE3AARXDHPRKDC
SCHEMBL24605727 0.76 AR (0.49) ARPRKDCMAPK1PRF1MAPT
SCHEMBL13004388 0.75 HSD17B1 (0.51) XDHPRF1MAPT
SCHEMBL12128119 0.75 MAPT (0.47) PRF1MAPT
SCHEMBL30112105 0.72 MAPT (0.47) PRF1MAPT
SCHEMBL30112143 0.72 MAPT (0.47) ARPRF1MAPTKDM4ELMNA
SCHEMBL13123271 0.71 PDE3B (0.47) PDE3BPDE3AXDHTBK1KDM4E
SCHEMBL30112100 0.70 AR (0.51) ARMAPT
SCHEMBL13626959 0.70 AR (0.46) PDE3BPDE3AARALDH1A3TBK1

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 PDE3B 1279/4885PDE3A 1564/4885AR 4192/4885

“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.

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