SCHEMBL1244830

SCHEMBL1244830

O=C(O)c1cc2sc(CCc3ccccc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.48
SRD5A2 P31213 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 1/20 0.41
CHRNA7 P36544 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL4393058 0.87 DAO (0.47) DAOSRD5A2KDM4EHSD17B10HPGD
SCHEMBL1245066 0.84 RAB9A (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL12906805 0.78 ADORA2A (0.36) DAOMAPTALDH1A1CYP1A2MEN1
SCHEMBL23293694 0.77 DAO (0.49) DAOSRD5A2KDM4EHSD17B10HPGD
SCHEMBL1244012 0.77 DAO (0.48) DAOSRD5A2KDM4EHSD17B10HPGD
SCHEMBL14288588 0.77 CYP2A6 (0.41) DAOGPR84
SCHEMBL1242631 0.75 F7 (0.46) DAOKDM4EHPGDCYP2C9MEN1
SCHEMBL69502 0.73 DAO (0.51) DAOSRD5A2KDM4EHSD17B10HPGD
SCHEMBL4388481 0.72 KDM4E (0.52) KDM4EHSD17B10HPGDMAPTALDH1A1
Pyrrole SCHEMBL16763188 0.71 DAO (0.45) DAOSRD5A2KDM4EHSD17B10HPGD

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 13 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
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
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
US-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors BRANDISH PHILIP E 2009-12-10 US disclosed
EP-1942885-A1 USE OF FUSED PYRROLE CARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES AS D-AMINO ACID OXIDASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-07-16 EP disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US 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
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
WO-2007039773-A1 USE OF FUSED PYRROLE CARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES AS D-AMINO ACID OXIDASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-04-12 WO 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 (3 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 1/4885SRD5A2 785/4885KDM4E 2644/4885
US-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors DAO, DDO, MAOB DAO 1/4885SRD5A2 1639/4885KDM4E 1526/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 DAO 1/4885SRD5A2 1151/4885KDM4E 2046/4885

“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.