SCHEMBL1244006

SCHEMBL1244006

COc1csc(CCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.53
LTB4R Q15722 1/20 0.46
ABCB1 P08183 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43
PPARG P37231 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
DRD4 P21917 1/20 0.40
CALM1 P0DP23 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL3018311 0.84 LTA4H (0.53) LTB4RMEN1KMT2ALTA4HRAB9A
SCHEMBL8225698 0.77 DAO (0.57) DAOLTB4RNPC1RAB9AMAPK1
Anisole SCHEMBL11292922 0.75 CA4 (0.70) ABCB1MEN1KMT2ALTA4HNPC1
SCHEMBL7671689 0.75 TUBB4A (0.47) DAORAB9AMAPTMAOBCALM1
SCHEMBL28521994 0.74 DAO (0.59) DAOLTB4RTSHRL3MBTL1MAOB
SCHEMBL1972535 0.74 CYP19A1 (0.66) ABCB1LTA4HNPC1RAB9ATSHR
SCHEMBL2355634 0.73 LTA4H (0.75) ABCB1MEN1KMT2ALTA4HNPC1
SCHEMBL27763564 0.73 DAO (0.57) DAOLTB4RNPC1RAB9AL3MBTL1
SCHEMBL23827485 0.72 DAO (0.68) DAOKMT2ANPC1RAB9ACALM1
SCHEMBL4060273 0.72 TAAR1 (0.69) ABCB1MAOBDRD4

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 DAO 1/4885LTB4R 2697/4885ABCB1 2247/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 DAO 1/4885LTB4R 2658/4885ABCB1 1687/4885

“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.