SCHEMBL6523359

SCHEMBL6523359

CCc1cnc(OC2CCN(C(=O)[C@H](C(C)C)N(C(=O)O)C(C)(C)C)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.38
ACACB O00763 10/20 0.34
NAMPT P43490 5/20 0.34
LNPEP Q9UIQ6 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL6523540 0.88 HMOX1 (0.39) HMOX1ACACBNAMPTLNPEPGPR119
SCHEMBL6522478 0.88 HMOX1 (0.50) HMOX1ACACBNAMPTLNPEPGPR119
SCHEMBL6522432 0.88 HMOX1 (0.39) HMOX1ACACBNAMPTLNPEPGPR119
SCHEMBL6523694 0.86 LIPE (0.43) HMOX1ACACB
SCHEMBL6518379 0.85 HMOX1 (0.43) HMOX1ACACBNAMPTGPR119
SCHEMBL6524554 0.85 ACACB (0.41) HMOX1ACACBNAMPTLNPEPSMYD3
SCHEMBL6522055 0.82 DPP4 (0.41) HMOX1NAMPTLNPEPGPR119
SCHEMBL6522911 0.82 DPP4 (0.41) HMOX1NAMPTLNPEP
Hydrochloric Acid SCHEMBL2774333 0.80 PIK3CD (0.44) HMOX1ACACBNAMPTLNPEPGPR119
SCHEMBL6522050 0.80 LNPEP (0.37) NAMPTLNPEPGPR119

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 334/4885ACACB 3542/4885NAMPT 1696/4885

“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.