SCHEMBL4035613

SCHEMBL4035613

O=Cc1ccc(-c2ccccc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
CYP2A6 P11509 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
APP P05067 1/20 0.44
CNR1 P21554 1/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
PRF1 P14222 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL1727532 0.86 CYP2E1 (0.46) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL13221494 0.81 HPGD (0.53) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL2553478 0.79 APP (0.40) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL13334516 0.79 ALDH1A1 (0.45) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL13221493 0.78 DPP4 (0.47) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL12151192 0.76 ESR1 (0.42) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL4218405 0.75 KDM4E (0.47) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL278904 0.75 DPP4 (0.65) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL13185729 0.74 DPP4 (0.47) DPP4CYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL31318094 0.74 APP (0.68) DPP4CYP2A6CYP2E1CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 WO 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 DPP4 950/4885CYP2A6 2038/4885CYP2E1 1002/4885

“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.