SCHEMBL1242676

SCHEMBL1242676

O=C(O)c1[nH]c2ccoc2c1I

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GPR17 Q13304 4/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GPR35 Q9HC97 2/20 0.31
FOLH1 Q04609 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL1242522 0.79 DAO (0.42) DAOKDM4EALDH1A1HPGDGPR17
SCHEMBL1244818 0.79 GPR35 (0.45) DAOKDM4EALDH1A1HPGDGPR17
SCHEMBL5131600 0.79 DAO (0.42) DAOKDM4EALDH1A1HPGDMEN1
SCHEMBL1244081 0.79 DAO (0.42) DAOKDM4EALDH1A1HPGDGPR17
SCHEMBL13484252 0.71 AHR (0.30)
SCHEMBL8433270 0.69
SCHEMBL2733263 0.68 GPR17 (0.61) KDM4EALDH1A1HPGDGPR17MEN1
SCHEMBL2724876 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31245675 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17077094 0.66 DAO (0.35) DAOALDH1A1

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 2 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-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 (1 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-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 DAO 1/4885KDM4E 2046/4885ALDH1A1 622/4885

“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.