SCHEMBL25939550

SCHEMBL25939550

Cn1cnc2cc(-c3c(F)c(F)c(-c4cccc(CN5CCOCC5)c4)c(F)c3F)cc(C(=O)O)c21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.51
PSMB8 P28062 1/20 0.42
WDR5 P61964 1/20 0.41
PARP1 P09874 1/20 0.41
CNR2 P34972 4/20 0.41
USP7 Q93009 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
JAK1 P23458 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CNR1 P21554 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MELK Q14680 1/20 0.38

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
SCHEMBL25939563 0.91 DHODH (0.61) DHODHPARP1
SCHEMBL25939555 0.91 DHODH (0.52) DHODHWDR5PARP1MELK
SCHEMBL25939468 0.89 DHODH (0.46) DHODHPSMB8PARP1CNR2USP7
SCHEMBL17921460 0.86 DHODH (0.51) DHODHPSMB8WDR5PARP1CNR2
SCHEMBL17921462 0.83 DHODH (0.56) DHODHPSMB8WDR5PARP1CNR2
SCHEMBL25939579 0.82 DHODH (0.46) DHODH
SCHEMBL24060220 0.81 DHODH (0.54) DHODHPSMB8WDR5PARP1CNR2
SCHEMBL25939476 0.81 DHODH (0.48) DHODHPARP1MELK
SCHEMBL25939496 0.80 DHODH (0.49) DHODHPARP1MELK
SCHEMBL25939485 0.80 DHODH (0.55) DHODH

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-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives SERVIER PHARMACEUTICALS LLC (US) 2023-08-08 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-11717512-B2 Methods of use for trisubstituted benzotriazole derivatives BRDT, BRPF3, BRD4 DHODH 441/4885PSMB8 3979/4885WDR5 2283/4885

“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.