SCHEMBL6566893

SCHEMBL6566893

COC(=O)c1cc(N)ccc1OC(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
CFTR P13569 1/20 0.45
RXFP1 Q9HBX9 2/20 0.39
ACP3 P15309 1/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6567957 0.97 CFTR (0.48) IDO1TDO2CFTRRXFP1GAA
SCHEMBL6564639 0.91 CFTR (0.47) IDO1TDO2CFTRACP3GAA
SCHEMBL6564533 0.88 GAA (0.48) CFTRGAAATMLMNASMN1; SMN2
SCHEMBL6566526 0.87 CFTR (0.43) IDO1TDO2CFTRGAAL3MBTL1
SCHEMBL6567804 0.87 CFTR (0.51) CFTRGAAMRGPRX4ALDH1A1POLB
SCHEMBL6565797 0.86 CFTR (0.42) CFTRGAAMRGPRX4
SCHEMBL6564698 0.84 MPO (0.45) IDO1TDO2RXFP1L3MBTL1LMNA
SCHEMBL6565855 0.84 ABL1 (0.42) CFTRGAAL3MBTL1LMNAMEN1
SCHEMBL6564586 0.83 SLC6A4 (0.42) CFTRGAALMNASMN1; SMN2MEN1
SCHEMBL6564379 0.83 CFTR (0.47) CFTRGAASMN1; SMN2MRGPRX4ALDH1A1

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 IDO1 953/4885TDO2 675/4885CFTR 865/4885

“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.