SCHEMBL25296455

SCHEMBL25296455

O=C(O)NC(COCc1ccccc1)COc1ncc(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.41
PSMB5 P28074 1/20 0.41
CNR1 P21554 1/20 0.40
GABRA5 P31644 1/20 0.37
SLC6A4 P31645 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FOLH1 Q04609 1/20 0.35
PLAU P00749 1/20 0.35
PPARA Q07869 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
SCHEMBL25252120 1.00 UGCG (0.41) UGCGPSMB5CNR1GABRA5SLC6A4
SCHEMBL25291935 0.89 UGCG (0.42) UGCGCNR1GABRA5TDP1S1PR1
SCHEMBL25252573 0.89 UGCG (0.42) UGCGCNR1GABRA5TDP1S1PR1
SCHEMBL25807459 0.87 PPARA (0.48) UGCGPPARA
SCHEMBL30491806 0.87 PPARA (0.48) UGCGPPARA
SCHEMBL28995593 0.87 PPARA (0.48) UGCGPPARA
SCHEMBL25298774 0.82 CNR1 (0.43) UGCGCNR1TDP1FOLH1PPARA
SCHEMBL25298773 0.82 CNR1 (0.43) UGCGCNR1TDP1FOLH1PPARA
SCHEMBL28995777 0.80 PLAU (0.39) UGCGPSMB5SLC6A4THRATHRB
SCHEMBL28995779 0.80 PLAU (0.39) UGCGPSMB5SLC6A4THRATHRB

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 3480/4885PSMB5 224/4885CNR1 1957/4885

“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.