SCHEMBL6517828

SCHEMBL6517828

COc1ccc(CN2C(=O)C(NC(=O)O)N=C(c3c(Cl)cc(Cl)cc3OC)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
CCKBR P32239 13/20 0.45
OXTR P30559 3/20 0.45
CCKAR P32238 5/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL6521354 0.94 CCKBR (0.46) KCNH2CCKBROXTRCCKAR
SCHEMBL16498272 0.90 KCNH2 (0.43) KCNH2CCKBROXTRCCKARPTGDR2
SCHEMBL6516243 0.89 CCKBR (0.49) KCNH2CCKBROXTRCCKAR
SCHEMBL1505840 0.86 OXTR (0.47) KCNH2CCKBROXTRCCKAR
SCHEMBL6517624 0.84 KCNH2 (0.45) KCNH2CCKBROXTRCCKAR
SCHEMBL16498120 0.84 CCKBR (0.42) KCNH2CCKBRCCKAR
SCHEMBL12781055 0.81 CCKBR (0.43) KCNH2CCKBROXTRCCKAR
SCHEMBL6517614 0.78 TSHR (0.48) PTGDR2
SCHEMBL16498130 0.78 TSHR (0.43) PTGDR2
SCHEMBL16498133 0.78 TSHR (0.43) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 KCNH2 160/4885CCKBR 180/4885OXTR 489/4885

“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.