SCHEMBL6523540

SCHEMBL6523540

CC(C)[C@@H](C(=O)N1CCC(Oc2ncc(Cl)cn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.39
NAMPT P43490 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
MMP1 P03956 1/20 0.35
ACACB O00763 3/20 0.34
LNPEP Q9UIQ6 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
LIPE Q05469 2/20 0.33
CCR1 P32246 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6522478 0.90 HMOX1 (0.50) HMOX1NAMPTEPHX2ACACBLNPEP
SCHEMBL6522432 0.90 HMOX1 (0.39) HMOX1NAMPTEPHX2ACACBLNPEP
SCHEMBL6523694 0.88 LIPE (0.43) HMOX1EPHX2ACACBHRH3LIPE
SCHEMBL6523359 0.88 HMOX1 (0.38) HMOX1NAMPTACACBLNPEPGPR119
SCHEMBL6523469 0.87 MMP1 (0.49) NAMPTMMP1HRH3GPR119LIPE
SCHEMBL6518379 0.87 HMOX1 (0.43) HMOX1NAMPTCYP2C9EPHX2CYP2J2
SCHEMBL6524554 0.86 ACACB (0.41) HMOX1NAMPTACACBLNPEPHSP90AA1
SCHEMBL6522050 0.86 LNPEP (0.37) NAMPTLNPEPHRH3GPR119LIPE
SCHEMBL6518444 0.84 CYP11B2 (0.40) NAMPTLNPEPGPR119
SCHEMBL6520372 0.83 EPHX2 (0.44) NAMPTCYP2C9EPHX2CYP2J2ACACB

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 HMOX1 334/4885NAMPT 1696/4885CYP2C9 161/4885

“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.