SCHEMBL1242690

SCHEMBL1242690

COC(=O)c1cc2oc(C)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.53
CYP1A2 P05177 1/20 0.49
CREBBP Q92793 1/20 0.44
PSMB8 P28062 1/20 0.43
XDH P47989 3/20 0.41
ULK1 O75385 1/20 0.40
MAPK1 P28482 1/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3558341 0.84 KDM4E (0.52) SMYD3MAPTLMNAGLAGAA
SCHEMBL7681740 0.83 CYP1A2 (0.45) SMYD3CYP1A2CREBBPPSMB8XDH
SCHEMBL1244189 0.81 SMYD3 (0.54) SMYD3MAPTLMNAKDM4EALDH1A1
SCHEMBL12863894 0.80 SMYD3 (0.45) SMYD3CYP1A2CREBBPPSMB8XDH
SCHEMBL2406831 0.79 SMYD3 (0.53) SMYD3MAPTKDM4EALDH1A1
SCHEMBL12863897 0.79 SMYD3 (0.45) SMYD3XDHMAPTLMNAGLA
SCHEMBL12863849 0.77 SMYD3 (0.44) SMYD3XDHMAPK1MAPTLMNA
SCHEMBL19265216 0.77 SMYD3 (0.51) SMYD3MAPTLMNAGLAGAA
SCHEMBL1244066 0.76 CREBBP (0.39) SMYD3CYP1A2CREBBPPSMB8XDH
SCHEMBL12863890 0.76 SMYD3 (0.43) SMYD3CYP1A2MAPTLMNAGLA

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 SMYD3 1321/4885CYP1A2 275/4885CREBBP 3936/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 SMYD3 3267/4885CYP1A2 220/4885CREBBP 4730/4885

“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.