SCHEMBL6526701

SCHEMBL6526701

CC(C)[C@@H](C(=O)N1CCC(Oc2ncc(Br)cn2)C(C)(C)C1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
CCR1 P32246 1/20 0.32

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 0.85 HMOX1 (0.50) HMOX1
Hydrochloric Acid SCHEMBL2775583 0.81 HMOX1 (0.42) HMOX1CCR1
SCHEMBL2779239 0.79 HMOX1 (0.42) HMOX1CCR1
SCHEMBL2775086 0.76 GPR119 (0.42) HMOX1
SCHEMBL6523540 0.76 HMOX1 (0.39) HMOX1CCR1
SCHEMBL6522432 0.76 HMOX1 (0.39) HMOX1CCR1
SCHEMBL6523694 0.74 LIPE (0.43) HMOX1
SCHEMBL6523359 0.74 HMOX1 (0.38) HMOX1
SCHEMBL6518379 0.74 HMOX1 (0.43) HMOX1
SCHEMBL6524554 0.73 ACACB (0.41) HMOX1

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 334/4885CCR1 1428/4885

“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.