SCHEMBL6566099

SCHEMBL6566099

COC(=O)c1cc(N)ccc1OC(c1ccc(C(F)(F)F)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
HDAC4 P56524 2/20 0.39
KDM4E B2RXH2 3/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HPGD P15428 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CTSA P10619 3/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
EEF2K O00418 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 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
SCHEMBL6567992 0.90 SLC6A4 (0.39) CFTRKDM4EIDO1TDO2HPGD
SCHEMBL6565999 0.90 IDO1 (0.43) CFTRKDM4EIDO1TDO2HPGD
SCHEMBL6567751 0.89 CFTR (0.42) CFTRKDM4EHPGDMRGPRX4CTSA
SCHEMBL6564639 0.89 CFTR (0.47) CFTRIDO1TDO2MRGPRX4GAA
SCHEMBL6567804 0.88 CFTR (0.51) CFTRKDM4EMRGPRX4GAAALDH1A1
SCHEMBL6567822 0.88 ABL1 (0.39) KDM4EIDO1TDO2HPGDCTSA
SCHEMBL6566534 0.87 GAA (0.43) CFTRKDM4EHPGDGAAALDH1A1
SCHEMBL6564379 0.86 CFTR (0.47) CFTRKDM4EHPGDMRGPRX4GAA
SCHEMBL6566648 0.85 MAPT (0.41) HDAC4KDM4EHPGDALDH1A1LMNA
SCHEMBL6566526 0.84 CFTR (0.43) CFTRKDM4EIDO1TDO2MRGPRX4

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 865/4885HDAC4 1016/4885KDM4E 2962/4885

“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.