SCHEMBL1245027

SCHEMBL1245027

CCOC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.72
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
ALOX5 P09917 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL1242600 0.89 DAO (0.56) DAOMEN1KMT2AALDH1A1ALOX5
SCHEMBL12890103 0.88 DAO (0.75) DAOTDP1L3MBTL1MEN1KMT2A
SCHEMBL1244669 0.84 DAO (1.00) DAOMEN1KMT2AALDH1A1TSHR
SCHEMBL1244068 0.84 DAO (0.46) DAOL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1245049 0.81 CDK1 (0.44) DAOL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1244837 0.77 ALDH1A1 (0.44) DAOL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1242507 0.77 TDP1 (0.46) DAOTDP1L3MBTL1MEN1KMT2A
SCHEMBL12890086 0.76 ADORA3 (0.43) DAOL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL12777569 0.76 KDM4E (0.43) DAOL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1244597 0.75 ALDH1A1 (0.43) DAOL3MBTL1MEN1KMT2AALDH1A1

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 14 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-20100029741-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100022612-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2010-01-28 US disclosed
US-7579370-B2 Fused heterocycles SEPRACOR INC. (US) 2009-08-25 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
US-20080004328-A1 FUSED HETEROCYCLES 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 (5 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-20100022612-A1 FUSED HETEROCYCLES AHR, HAX1, HRH3 DAO 2452/4885TDP1 4620/4885L3MBTL1 3823/4885
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 DAO 1/4885TDP1 707/4885L3MBTL1 2590/4885
US-20100029741-A1 FUSED HETEROCYCLES CHRNA4, CHRNB4, CHRNA3 DAO 1545/4885TDP1 2626/4885L3MBTL1 3563/4885
US-20080004328-A1 FUSED HETEROCYCLES HRH3, HRH4, AHR DAO 2936/4885TDP1 4468/4885L3MBTL1 3307/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 DAO 1/4885TDP1 377/4885L3MBTL1 2103/4885

“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.