SCHEMBL6565797

SCHEMBL6565797

COC(=O)c1cc(N)ccc1OC(c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
ABL1 P00519 1/20 0.37
CASR P41180 3/20 0.36
LRRK2 Q5S007 1/20 0.36
PTGS1 P23219 2/20 0.35
PPARG P37231 3/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6566067 0.91 CFTR (0.46) CFTRMRGPRX4ABL1PPARGGAA
SCHEMBL6564639 0.90 CFTR (0.47) CFTRMRGPRX4CASRPTGS1GAA
SCHEMBL6567804 0.90 CFTR (0.51) CFTRMRGPRX4PTGS1GAA
SCHEMBL6566526 0.89 CFTR (0.43) CFTRMRGPRX4CASRLRRK2PTGS1
SCHEMBL6566689 0.89 ALDH1A1 (0.40) ABL1PPARGGAA
SCHEMBL6565855 0.89 ABL1 (0.42) CFTRABL1PPARGGAA
SCHEMBL6567957 0.87 CFTR (0.48) CFTRMRGPRX4PTGS1GAA
SCHEMBL6566893 0.86 IDO1 (0.48) CFTRMRGPRX4GAA
SCHEMBL6564379 0.86 CFTR (0.47) CFTRMRGPRX4CASRPTGS1GAA
SCHEMBL6564654 0.85 MEN1 (0.41) MRGPRX4

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CFTR 865/4885MRGPRX4 287/4885ABL1 2094/4885

“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.