SCHEMBL1242728

SCHEMBL1242728

CCOC(=O)c1cc2cnn(CCc3ccccc3)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.46
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP14 P50281 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL1242317 0.89 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1244814 0.85 GRN (0.42) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL1244881 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL23159586 0.79 MMP13 (0.50) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL14288782 0.78 ALDH1A1 (0.43) SMN1; SMN2RAB9AKMT2AALDH1A1MAPT
SCHEMBL23159522 0.77 NPC1 (0.53) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL12906824 0.72 HSD17B10 (0.39) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1417198 0.71 TSHR (0.51) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6078547 0.70 TSHR (0.56) SMN1; SMN2KMT2AALDH1A1MAPTGAA
SCHEMBL1244044 0.69 ALDH1A1 (0.50) SMN1; SMN2RAB9AKMT2AKDM4EALDH1A1

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 12 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
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 468/4885RAB9A 2860/4885KMT2A 1746/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 SMN1; SMN2 796/4885RAB9A 1945/4885KMT2A 1155/4885

“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.