SCHEMBL6564841

SCHEMBL6564841

COC(=O)c1cc(NC(=O)Nc2ccc(OCCNC(=O)C(F)(F)F)c(OC)c2)ccc1OC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MCHR1 Q99705 6/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6566885 0.87 KMT2A (0.43) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL6565875 0.86 MEN1 (0.47) MCHR1MAPTKMT2AMEN1TP53
SCHEMBL6565825 0.85 KMT2A (0.54) CYP1A2CYP2C9CYP2C19MAPTKMT2A
SCHEMBL6565770 0.85 KMT2A (0.45) MCHR1MAPTKMT2AMEN1TP53
SCHEMBL6566524 0.83 MEN1 (0.47) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL6564676 0.82 KMT2A (0.44) MCHR1MAPTKMT2AMEN1TP53
SCHEMBL6566508 0.82 KMT2A (0.41) MCHR1MAPTKMT2AMEN1TP53
SCHEMBL6565683 0.82 KMT2A (0.50) MAPTKMT2AMEN1TP53LMNA
SCHEMBL6567994 0.82 MAPT (0.47) MCHR1MAPTKMT2AMEN1TP53
SCHEMBL6566876 0.81 MAPT (0.47) CYP1A2CYP2C9CYP2C19MCHR1MAPT

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 CYP1A2 265/4885CYP2C9 310/4885CYP2C19 362/4885

“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.