SCHEMBL7598387

SCHEMBL7598387

CC(C)(C)OC(=O)NC(Cc1cccnc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.49
SCN9A Q15858 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
CYP3A4 P08684 6/20 0.47
CYP3A5 P20815 1/20 0.46
PABPC1 P11940 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL7390953 0.84 PABPC1 (0.61) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL7390948 0.84 PABPC1 (0.61) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL7556296 0.83 KMT2A (0.62) CHRM1KMT2AMAPK1SCN9AHRH2
SCHEMBL7556302 0.83 KMT2A (0.62) CHRM1KMT2AMAPK1SCN9AHRH2
SCHEMBL6161351 0.83 KMT2A (0.57) CHRM1KMT2AMAPK1SCN9AHRH2
SCHEMBL8305402 0.82 KMT2A (0.52) KMT2AMAPK1HRH2HRH1
SCHEMBL7594697 0.82 CHRM1 (0.53) CHRM1CYP3A4FNTAFNTB
SCHEMBL6069699 0.82 KMT2A (0.57) KMT2ASCN9ACYP3A4
SCHEMBL6069703 0.82 KMT2A (0.57) KMT2ASCN9ACYP3A4
SCHEMBL5891895 0.81 KMT2A (0.54) CHRM1KMT2AMAPK1SCN9AHRH2

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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-29 US disclosed
WO-2002032871-A2 COMPOUNDS AND METHODS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO 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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance ABCC1, ABCB1, ABCB11 CHRM1 3787/4885KMT2A 3528/4885MAPK1 4085/4885

“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.