SCHEMBL25939468

SCHEMBL25939468

Cn1cnc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
PSMB8 P28062 1/20 0.45
PARP1 P09874 1/20 0.43
FAAH O00519 2/20 0.43
JAK1 P23458 1/20 0.43
MELK Q14680 1/20 0.41
AVPR1B P47901 1/20 0.41
USP7 Q93009 1/20 0.41
HDAC1 Q13547 1/20 0.41
CNR2 P34972 1/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
SYK P43405 3/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL25939476 0.91 DHODH (0.48) DHODHPARP1FAAHMELKAVPR1B
SCHEMBL25939496 0.90 DHODH (0.49) DHODHPARP1FAAHMELKHDAC1
SCHEMBL25939550 0.89 DHODH (0.51) DHODHPSMB8PARP1JAK1MELK
SCHEMBL15973293 0.85 DHODH (0.46) DHODHPSMB8PARP1FAAHJAK1
SCHEMBL25939483 0.85 DHODH (0.50) DHODHPSMB8PARP1FAAHJAK1
SCHEMBL15974133 0.82 DHODH (0.51) DHODHPSMB8PARP1FAAHJAK1
SCHEMBL25939563 0.80 DHODH (0.61) DHODHPARP1
SCHEMBL25939555 0.80 DHODH (0.52) DHODHPARP1MELK
SCHEMBL23644574 0.79 DHODH (0.51) DHODHPSMB8PARP1FAAHAVPR1B
SCHEMBL25939429 0.79 DHODH (0.46) 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 3979/4885PARP1 408/4885

“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.