SCHEMBL1244044

SCHEMBL1244044

CCOC(=O)c1cc2cc(CCc3ccccc3)sc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
HRH3 Q9Y5N1 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.43
MMP13 P45452 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL23160857 0.85 KDM4E (0.48) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1244012 0.83 DAO (0.48) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1245066 0.82 RAB9A (0.51) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1244647 0.78 ALOX15 (0.54) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6625289 0.76 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1244777 0.74 ALOX15 (0.55) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1244092 0.74 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1244790 0.74 RAB9A (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL29847149 0.74 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3113232 0.73 GAA (0.66) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E

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 10 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-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 ALDH1A1 866/4885RAB9A 2860/4885SMN1; SMN2 468/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 ALDH1A1 622/4885RAB9A 1945/4885SMN1; SMN2 796/4885

“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.