SCHEMBL1242317

SCHEMBL1242317

CCOC(=O)c1cc2cnn(Cc3ccccc3)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 2/20 0.46
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46

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
SCHEMBL1242728 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL23159522 0.88 NPC1 (0.53) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL1244057 0.84 HSD17B10 (0.49) KMT2APOLBMAPTKDM4EALDH1A1
SCHEMBL23159586 0.79 MMP13 (0.50) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL1417198 0.78 TSHR (0.51) SMN1; SMN2KMT2APOLBRAB9ANPC1
SCHEMBL14288677 0.77 HSD17B10 (0.56) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL28541739 0.75 NPBWR1 (0.46) KMT2AMAPTALDH1A1MEN1
SCHEMBL21332805 0.74 SMN1; SMN2 (0.77) SMN1; SMN2KMT2APOLBRAB9ANPC1
SCHEMBL4957675 0.74 EGFR (0.49) SMN1; SMN2KMT2APOLBNPC1LMNA
SCHEMBL17582602 0.73 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLBNPC1LMNA

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 11 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
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
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

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 SMN1; SMN2 468/4885KMT2A 1746/4885POLB 1235/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 SMN1; SMN2 796/4885KMT2A 1155/4885POLB 1205/4885

“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.