SCHEMBL25939490

SCHEMBL25939490

Cn1cnc2c(C(=O)O)cc(-c3ccc(-c4cccc(CN5CCCC5)c4)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.52
HRH3 Q9Y5N1 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
PARP1 P09874 2/20 0.43
SLC2A1 P11166 3/20 0.42
FAAH O00519 2/20 0.41
AVPR1B P47901 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL25939486 0.99 DHODH (0.51) DHODHHRH3CYP2D6CYP2C9HIF1A
SCHEMBL25939483 0.91 DHODH (0.50) DHODHPARP1FAAHAVPR1BMGLL
SCHEMBL25939476 0.84 DHODH (0.48) DHODHHRH3CYP2D6CYP2C9HIF1A
SCHEMBL15987179 0.84 DHODH (0.52) DHODHHRH3CYP2D6CYP2C9HIF1A
SCHEMBL15973464 0.83 DHODH (0.51) DHODHHRH3CYP2D6CYP2C9HIF1A
SCHEMBL15973385 0.82 DHODH (0.52) DHODHHRH3CYP2D6CYP2C9HIF1A
SCHEMBL25939447 0.81 DHODH (0.49) DHODH
SCHEMBL21905243 0.77 DHODH (0.83) DHODH
SCHEMBL25939496 0.77 DHODH (0.49) DHODHPARP1SLC2A1FAAHMGLL
SCHEMBL21905255 0.77 DHODH (0.81) 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 441/4885HRH3 810/4885CYP2D6 438/4885

“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.