SCHEMBL25252573

SCHEMBL25252573

O=C(O)N[C@@H](COCc1ccccc1)COc1ncc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 1/20 0.42
CNR1 P21554 1/20 0.41
GABRA5 P31644 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FOLH1 Q04609 1/20 0.37
GCK P35557 3/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
LRRK2 Q5S007 2/20 0.36
S1PR1 P21453 1/20 0.36
SLC1A1 P43005 1/20 0.35
TACR1 P25103 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL25291935 1.00 UGCG (0.42) UGCGCNR1GABRA5TDP1FOLH1
SCHEMBL25296455 0.89 UGCG (0.41) UGCGCNR1GABRA5TDP1FOLH1
SCHEMBL25252120 0.89 UGCG (0.41) UGCGCNR1GABRA5TDP1FOLH1
SCHEMBL25295806 0.87 HDAC8 (0.41) GABRA5HDAC8
SCHEMBL25256196 0.87 HDAC8 (0.41) GABRA5HDAC8
SCHEMBL25807391 0.87 PPARA (0.50) UGCG
SCHEMBL28995644 0.87 PPARA (0.50) UGCG
SCHEMBL30491809 0.87 PPARA (0.50) UGCG
SCHEMBL25298773 0.83 CNR1 (0.43) UGCGCNR1TDP1FOLH1MMP9
SCHEMBL25298774 0.83 CNR1 (0.43) UGCGCNR1TDP1FOLH1MMP9

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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 UGCG 3480/4885CNR1 1957/4885GABRA5 1863/4885

“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.