SCHEMBL6567780

SCHEMBL6567780

COC(=O)c1cc(NC(=O)NCCCSC)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.53
ESRRA P11474 2/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
PTPN1 P18031 3/20 0.41
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
PTPN11 Q06124 2/20 0.41
PTPRF P10586 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL6567665 0.89 CASR (0.56) CASRESRRALMNAKMT2AMEN1
SCHEMBL6566611 0.87 CASR (0.54) CASRESRRALMNAKMT2AMEN1
SCHEMBL6566738 0.86 MCHR1 (0.45) CASRESRRALMNAKMT2AMEN1
SCHEMBL6565899 0.86 CASR (0.72) CASRESRRALMNAKMT2AMEN1
SCHEMBL6566675 0.86 CASR (0.57) CASRESRRALMNAKMT2AMEN1
SCHEMBL6567944 0.85 CASR (0.52) CASRESRRALMNAKMT2AMEN1
SCHEMBL6567954 0.85 CASR (0.52) CASRESRRALMNAKMT2APTPN1
SCHEMBL6566680 0.85 CASR (0.56) CASRESRRALMNAKMT2AMEN1
SCHEMBL6565789 0.85 CASR (0.56) CASRESRRALMNAKMT2AMEN1
SCHEMBL6566863 0.84 CASR (0.55) CASRESRRALMNAKMT2AMEN1

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 CASR 1621/4885ESRRA 706/4885LMNA 4043/4885

“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.