SCHEMBL25939563

SCHEMBL25939563

Cn1cnc2cc(-c3c(F)c(F)c(-c4cccc(CN5CCCCC5)c4)c(F)c3F)cc(C(=O)O)c21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.61
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL25939555 0.93 DHODH (0.52) DHODHPARP1
SCHEMBL25939550 0.91 DHODH (0.51) DHODHPARP1
SCHEMBL25939476 0.88 DHODH (0.48) DHODHCYP2D6CYP2C9HIF1AHDAC6
SCHEMBL17921465 0.85 DHODH (0.61) DHODHCYP2D6CYP2C9HIF1AHDAC6
SCHEMBL25939579 0.83 DHODH (0.46) DHODH
SCHEMBL17921461 0.83 DHODH (0.67) DHODHCYP2D6CYP2C9HIF1AHDAC6
SCHEMBL25939558 0.83 DHODH (0.59) DHODH
SCHEMBL25939496 0.81 DHODH (0.49) DHODHPARP1
SCHEMBL25939485 0.81 DHODH (0.55) DHODH
SCHEMBL25939468 0.80 DHODH (0.46) DHODHPARP1

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 441/4885CYP2D6 438/4885CYP2C9 612/4885

“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.