SCHEMBL1244707

SCHEMBL1244707

O=Cc1cc(Cc2ccccc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
IDH1 O75874 2/20 0.41
RARA P10276 1/20 0.41
RXRA P19793 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
HNF4A P41235 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LTA4H P09960 1/20 0.34
PTPN1 P18031 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1245072 0.87 DAO (0.42) IDH1ALDH1A1MAOAMAOB
SCHEMBL17398597 0.83 RARA (0.41) RARARXRALTA4HMAOAMAOB
SCHEMBL17398385 0.83 PNMT (0.41) RARARXRAALDH1A1LMNALTA4H
SCHEMBL27971613 0.82 TSHR (0.50) LTA4HMAOAMAOB
SCHEMBL8226394 0.75 RARA (0.39) CALM1IDH1RARARXRAALDH1A1
SCHEMBL5360941 0.74 RXRA (0.70) RARARXRA
SCHEMBL934450 0.74
SCHEMBL27719076 0.74 IDH1 (0.58) CALM1IDH1ALDH1A1PLA2G10PLA2G2A
SCHEMBL31349737 0.73 AKR1B1 (0.39) RARARXRAALDH1A1LMNA
SCHEMBL1244711 0.73 KMT2A (0.57) ALDH1A1LMNA

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 20 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
CN-101820760-A Condensed hetero ring SEPRACOR INC 2010-09-01 CN disclosed
EP-2173170-A2 FUSED HETEROCYCLES Sepracor Inc. (US) 2010-04-14 EP 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
CN-101511832-A Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC (US) 2009-08-19 CN disclosed
EP-2057162-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-05-13 EP disclosed
WO-2009020814-A2 FUSED HETEROCYCLES SEPRACOR INC. (US) 2009-02-12 WO 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
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 CALM1 3790/4885IDH1 90/4885RARA 2595/4885
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 CALM1 1211/4885IDH1 732/4885RARA 2330/4885
US-20100029741-A1 FUSED HETEROCYCLES CHRNA4, CHRNB4, CHRNA3 CALM1 1917/4885IDH1 156/4885RARA 2955/4885
US-20080004328-A1 FUSED HETEROCYCLES HRH3, HRH4, AHR CALM1 3574/4885IDH1 93/4885RARA 2560/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 CALM1 1892/4885IDH1 569/4885RARA 2673/4885

“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.