SCHEMBL25939447

SCHEMBL25939447

Cn1cnc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.49
ACMSD Q8TDX5 3/20 0.44
HNF4A P41235 2/20 0.44
DHFR P00374 1/20 0.44
MCL1 Q07820 1/20 0.44
PTPN1 P18031 3/20 0.42
AKR1C2 P52895 3/20 0.41
AKR1C1 Q04828 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
DPP4 P27487 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 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
SCHEMBL25939449 0.89 MCL1 (0.50) DHODHMCL1PTPN1DPP4
SCHEMBL25939461 0.84 DHODH (0.58) DHODH
SCHEMBL25939490 0.81 DHODH (0.52) DHODH
SCHEMBL25939486 0.81 DHODH (0.51) DHODH
SCHEMBL25939483 0.79 DHODH (0.50) DHODH
SCHEMBL25939453 0.77 PIK3R2 (0.41) DHODHMCL1DPP4
SCHEMBL12362542 0.77 DPP4 (0.46) DPP4
SCHEMBL17909988 0.77 DHODH (0.49) DHODHACMSDHNF4ADHFRMCL1
SCHEMBL25939429 0.77 DHODH (0.46) DHODHACMSDHNF4ADHFRMCL1
SCHEMBL21905308 0.76 DHODH (0.58) 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 441/4885ACMSD 2364/4885HNF4A 2424/4885

“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.