SCHEMBL6566526

SCHEMBL6566526

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
CASR P41180 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MTOR P42345 1/20 0.37
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE2A O00408 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL6564639 0.91 CFTR (0.47) CFTRCASRMRGPRX4PTGS1GAA
SCHEMBL6564379 0.91 CFTR (0.47) CFTRCASRMRGPRX4PTGS1KDM4E
SCHEMBL6567804 0.91 CFTR (0.51) CFTRMRGPRX4PTGS1KDM4EGAA
SCHEMBL6566697 0.91 GAA (0.43) CFTRKDM4ELMNAMAPTGAA
SCHEMBL6565797 0.89 CFTR (0.42) CFTRCASRMRGPRX4PTGS1GAA
SCHEMBL6566566 0.88 ABL1 (0.39) OPRL1KDM4EMAPTGAAIDO1
SCHEMBL6567957 0.87 CFTR (0.48) CFTRMRGPRX4PTGS1KDM4ELMNA
SCHEMBL6566893 0.87 IDO1 (0.48) CFTRMRGPRX4KDM4ELMNAMAPT
SCHEMBL6566067 0.85 CFTR (0.46) CFTRMRGPRX4LMNAGAA
SCHEMBL6567977 0.85 MAPT (0.38) CASRMRGPRX4OPRM1OPRL1KDM4E

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 865/4885CASR 1621/4885MRGPRX4 287/4885

“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.