SCHEMBL6567957

SCHEMBL6567957

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
KCNN4 O15554 1/20 0.39
PTGS1 P23219 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 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
SCHEMBL6566893 0.97 IDO1 (0.48) CFTRIDO1TDO2LMNASMN1; SMN2
SCHEMBL6564639 0.88 CFTR (0.47) CFTRIDO1TDO2MRGPRX4GAA
SCHEMBL6566526 0.87 CFTR (0.43) CFTRIDO1TDO2LMNAMRGPRX4
SCHEMBL6567804 0.87 CFTR (0.51) CFTRMRGPRX4KDM4EALDH1A1GAA
SCHEMBL6565797 0.87 CFTR (0.42) CFTRMRGPRX4GAAPTGS1
SCHEMBL6566697 0.85 GAA (0.43) CFTRIDO1TDO2LMNASMN1; SMN2
SCHEMBL6564379 0.83 CFTR (0.47) CFTRSMN1; SMN2MRGPRX4KDM4EALDH1A1
SCHEMBL6564533 0.83 GAA (0.48) CFTRLMNASMN1; SMN2MAPTKDM4E
SCHEMBL6564852 0.83 MPO (0.45) CFTRLMNAMAPTMEN1HPGD
SCHEMBL6566067 0.82 CFTR (0.46) CFTRLMNAMRGPRX4GAA

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 865/4885IDO1 953/4885TDO2 675/4885

“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.