SCHEMBL4333504

SCHEMBL4333504

COC(=O)c1ccc(-c2ccc(N3CCCCCC3)c(C#N)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
F10 P00742 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL4339991 0.89 MEN1 (0.43) KDM4ERAB9AHSD17B10LMNAALDH1A1
SCHEMBL4559367 0.84 ALDH1A1 (0.44) NPSR1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL4331169 0.80 HSD17B1 (0.59) NPSR1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4346205 0.79 HSD17B1 (0.55) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL16312946 0.77 XDH (0.54) KDM4ERAB9AHSD17B10LMNAALDH1A1
SCHEMBL13627242 0.76 XDH (0.42) KDM4ERAB9AALDH1A1HSD17B1HSD17B2
SCHEMBL24827054 0.76 KDM4E (0.64) NPSR1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14531201 0.75 POLB (0.41) NPSR1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1329930 0.74 HPGDS (0.46) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14384364 0.74 KDM4E (0.50) NPSR1KDM4ESMN1; SMN2NPC1RAB9A

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 3 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
EP-1783124-A1 2-PHENYLTHIOPHENE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP 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 NPSR1 4566/4885KDM4E 513/4885SMN1; 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.