SCHEMBL7556296

SCHEMBL7556296

CC(C)(C)OC(=O)NC(Cc1cccnc1)C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MAPK1 P28482 1/20 0.59
PABPC1 P11940 1/20 0.55
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
SCN9A Q15858 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ACE P12821 2/20 0.47
CYP51A1 Q16850 1/20 0.47
F2 P00734 1/20 0.45
MEN1 O00255 2/20 0.45
CHRM1 P11229 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 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
SCHEMBL7556302 1.00 KMT2A (0.62) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6161351 0.90 KMT2A (0.57) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL5891895 0.88 KMT2A (0.54) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL7598387 0.83 CHRM1 (0.52) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL606221 0.80 ACE (0.61) SCN9AACECYP3A4
SCHEMBL479035 0.80 ACE (0.61) SCN9AACECYP3A4
SCHEMBL479037 0.80 ACE (0.61) SCN9AACECYP3A4
SCHEMBL30655780 0.80 ACE (0.61) SCN9AACECYP3A4
SCHEMBL29401567 0.80 ACE (0.61) SCN9AACECYP3A4
SCHEMBL30547269 0.80 ACE (0.61) SCN9AACECYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082262-A1 Substituted bicyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-06-27 US 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-20020082262-A1 Substituted bicyclic compounds for treating multidrug resistance ABCB1, ABCC1, ABCB11 KMT2A 3111/4885MAPK1 4824/4885PABPC1 2933/4885

“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.