SCHEMBL1244529

SCHEMBL1244529

O=Cc1cscc1/C=C/c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
NFE2L2 Q16236 1/20 0.44
AHR P35869 1/20 0.44
CYP1A2 P05177 2/20 0.41
FBP1 P09467 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DAO P14920 1/20 0.37
ERN1 O75460 1/20 0.36
BCHE P06276 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1244532 1.00 HSD17B10 (0.48) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL8223462 1.00 HSD17B10 (0.48) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL20586375 0.81 ALDH1A1 (0.44) NFE2L2CYP1A2MAOBMAOATDP1
SCHEMBL20586377 0.81 ALDH1A1 (0.44) NFE2L2CYP1A2MAOBMAOATDP1
SCHEMBL15899333 0.77 NFE2L2 (0.61) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL6520362 0.77 NFE2L2 (0.61) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL18416523 0.75 HSD17B10 (0.84) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL699666 0.72 AHR (0.74) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL20582895 0.72 AHR (0.74) HSD17B10NFE2L2AHRCYP1A2FBP1
SCHEMBL843718 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
EP-2057162-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-05-13 EP disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 WO disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 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 (2 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-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 HSD17B10 1387/4885NFE2L2 1055/4885AHR 2121/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 HSD17B10 2258/4885NFE2L2 1607/4885AHR 1846/4885

“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.