SCHEMBL25898478

SCHEMBL25898478

CN(C(=O)C1CC(C(=O)N(C)c2ccc(-c3ccc4c(ccc5ccccc54)n3)cc2)CC(C(=O)N(C)c2ccc(-c3ccc4c(ccc5ccccc54)n3)cc2)C1)c1ccc(-c2ccc3c(ccc4ccccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FASN P49327 18/20 0.43
TMEM97 Q5BJF2 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21477400 0.84 AR (0.33) CYP3A4
SCHEMBL19780755 0.81 ALDH1A1 (0.49) FASNCYP3A4
SCHEMBL6082932 0.79 KDM4E (0.50) CYP3A4
SCHEMBL21477411 0.77 GSK3A (0.44) CYP3A4
SCHEMBL22695635 0.73 GSK3A (0.39) CYP3A4
SCHEMBL21480942 0.73 FASN (0.47) FASN
SCHEMBL19780650 0.73 FASN (0.47) FASN
SCHEMBL29613268 0.72 RAB9A (0.53) CYP3A4
SCHEMBL9001847 0.72 FASN (0.52) FASN
SCHEMBL13169226 0.72 RAB9A (0.53) CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 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 (2 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-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 FASN 3519/4885TMEM97 3898/4885HRH4 4734/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FASN 3519/4885TMEM97 3898/4885HRH4 4734/4885

“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.