SCHEMBL1245233

SCHEMBL1245233

COC(=O)c1[nH]c2ccsc2c1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NEK1 Q96PY6 2/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
POLB P06746 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
SCHEMBL1244935 0.77 TSHR (0.41) KMT2AMEN1HPGDTP53KDM4E
SCHEMBL1245207 0.76 MAPT (0.39) KMT2AMEN1HPGDTP53KDM4E
SCHEMBL9501275 0.75 HTR6 (0.57) KMT2AMEN1HTR1ADRD2DRD4
SCHEMBL1569000 0.71 HTR6 (0.45) KMT2AMEN1HTR1ADRD2DRD4
SCHEMBL1569006 0.71 KDM5A (0.42) HTR1ADRD2DRD4HTR1DHTR1B
SCHEMBL20568485 0.65 NEK1 (0.38) NEK1TP53KDM4EGAAMAPT
SCHEMBL13395533 0.64 KDM4E (0.34) KMT2ANEK1MEN1HPGDMAPK1
SCHEMBL397920 0.64 KDM4E (0.43) KMT2AMAPK1KDM4EGAATSHR
SCHEMBL31549255 0.63 NR4A2 (0.53) KMT2AMEN1KDM4EHTR2AHTR2C
SCHEMBL1723082 0.62 ALOX15 (0.55) KMT2AHTR6HPGDTP53KDM4E

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
CN-101511832-A Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC (US) 2009-08-19 CN 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
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 KMT2A 1746/4885NEK1 2165/4885MEN1 4776/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 KMT2A 1155/4885NEK1 3790/4885MEN1 4749/4885

“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.