SCHEMBL6567940

SCHEMBL6567940

COC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.58
SGMS2 Q8NHU3 1/20 0.54
ESRRA P11474 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MET P08581 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
LRRK2 Q5S007 1/20 0.47
PARP1 P09874 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
F2 P00734 1/20 0.46
F7 P08709 1/20 0.46

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
SCHEMBL6564712 0.90 PPIA (0.52) PPIASGMS2ESRRAMRGPRX4MEN1
SCHEMBL6566692 0.87 MEN1 (0.61) PPIASGMS2ESRRAMEN1KMT2A
SCHEMBL6564693 0.85 LRRK2 (0.57) PPIAESRRAMEN1KMT2AALDH1A1
SCHEMBL6566043 0.85 LRRK2 (0.56) PPIASGMS2ESRRAMRGPRX4MEN1
SCHEMBL6568084 0.85 PPIA (0.60) PPIASGMS2ESRRAMEN1KMT2A
SCHEMBL6566105 0.82 PPIA (0.58) PPIAMRGPRX4MEN1KMT2AMAPT
SCHEMBL6566664 0.82 MEN1 (0.57) PPIASGMS2ESRRAMEN1KMT2A
SCHEMBL6566693 0.82 PARP1 (0.64) PPIASGMS2MEN1KMT2AALDH1A1
SCHEMBL6567662 0.82 MEN1 (0.52) SGMS2ESRRAMEN1KMT2AALDH1A1
SCHEMBL1646681 0.81 MRGPRX4 (0.60) PPIASGMS2MRGPRX4ALDH1A1LMNA

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 PPIA 4339/4885SGMS2 4806/4885ESRRA 706/4885

“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.