SCHEMBL6567028

SCHEMBL6567028

COC(=O)c1cc(NC(=O)NCCCN(C)c2ccccc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.51
MCHR1 Q99705 2/20 0.43
USP2 O75604 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ESRRA P11474 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL6567954 0.89 CASR (0.52) CASRMCHR1LMNAESRRAKMT2A
SCHEMBL6566863 0.88 CASR (0.55) CASRMCHR1LMNAESRRAMEN1
SCHEMBL6566514 0.87 MCHR1 (0.52) MCHR1USP2LMNAMAPTRXFP1
SCHEMBL6567665 0.86 CASR (0.56) CASRLMNAESRRAMEN1KMT2A
SCHEMBL6566611 0.85 CASR (0.54) CASRLMNAESRRAMEN1KMT2A
SCHEMBL6567780 0.84 CASR (0.53) CASRLMNAMAPTESRRAMEN1
SCHEMBL6564673 0.84 CASR (0.53) CASRMCHR1LMNAESRRAMEN1
SCHEMBL6565899 0.83 CASR (0.72) CASRLMNAESRRAMEN1KMT2A
SCHEMBL6566675 0.83 CASR (0.57) CASRLMNAMAPTESRRAMEN1
SCHEMBL6567944 0.83 CASR (0.52) CASRLMNAESRRAMEN1KMT2A

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 1621/4885MCHR1 382/4885USP2 2381/4885

“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.