SCHEMBL6522050

SCHEMBL6522050

CC(C)[C@@H](C(=O)N1CCC(Oc2cnc(Cl)nc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.37
NAMPT P43490 7/20 0.37
GPR119 Q8TDV5 3/20 0.36
SRD5A1 P18405 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LIPE Q05469 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6520375 0.89 LPL (0.44) LNPEPNAMPTGPR119SRD5A1LMNA
SCHEMBL6525322 0.88 P2RX3 (0.39) LNPEPNAMPTHRH3LIPE
SCHEMBL6522916 0.86 LNPEP (0.37) LNPEPNAMPTGPR119
SCHEMBL6522082 0.86 SRD5A1 (0.41) LNPEPNAMPTGPR119SRD5A1LMNA
SCHEMBL6518444 0.86 CYP11B2 (0.40) LNPEPNAMPTGPR119SRD5A1ALDH1A1
SCHEMBL6522441 0.86 GPR119 (0.41) LNPEPNAMPTGPR119SRD5A1LMNA
SCHEMBL6523540 0.86 HMOX1 (0.39) LNPEPNAMPTGPR119HRH3LIPE
SCHEMBL6520372 0.85 EPHX2 (0.44) NAMPTSRD5A1LMNAMAPTKMT2A
SCHEMBL6524637 0.84 ACACB (0.39) LNPEPNAMPTGPR119HRH3
SCHEMBL6525436 0.84 CHRM4 (0.41) NAMPTGPR119CYP4F2CYP4A11LIPE

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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 LNPEP 4680/4885NAMPT 1696/4885GPR119 1336/4885

“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.