SCHEMBL4422528

SCHEMBL4422528

Cc1ccc(-c2ccc[c]c2Cl)c[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
CYP2C9 P11712 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6881481 0.73 HPGD (0.36) CYP2C9L3MBTL1
SCHEMBL8470197 0.73 L3MBTL1 (0.41) PTGS2L3MBTL1
SCHEMBL9716210 0.72 PTGS2 (0.41) PTGS2CYP2C9GPR84L3MBTL1
SCHEMBL5584101 0.70 IDO1 (0.32)
SCHEMBL4418630 0.70 PTGS2 (0.44) PTGS2GPR84L3MBTL1
SCHEMBL3978906 0.69 CYP2A6 (0.50) PTGS2
SCHEMBL435264 0.69 CYP1A2 (0.42) PTGS2
SCHEMBL4288091 0.68 PDK2 (0.41) PTGS2
SCHEMBL4281566 0.67 CYP2A6 (0.48) PTGS2L3MBTL1
SCHEMBL2430751 0.66 PTGS2 (0.39) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 PTGS2 2180/4885CYP2C9 4515/4885GPR84 4253/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PTGS2 2225/4885CYP2C9 4607/4885GPR84 4263/4885

“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.