SCHEMBL5453661

SCHEMBL5453661

COc1cc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 19/20 0.41
KMT2A Q03164 2/20 0.37

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
SCHEMBL5456052 0.91 PKM (0.43) KMT2A
SCHEMBL5438443 0.90 GAA (0.42) KMT2A
SCHEMBL5443229 0.87 TACR1 (0.36)
SCHEMBL5446694 0.87 MAOB (0.35)
SCHEMBL5449425 0.86 AKR1B1 (0.33) WDR5KMT2A
SCHEMBL5452304 0.84 ALDH1A1 (0.34) KMT2A
SCHEMBL5440602 0.83 MAOB (0.41) KMT2A
SCHEMBL5457538 0.83 MMP10 (0.35) KMT2A
SCHEMBL5445142 0.83 EGLN1 (0.39) KMT2A
SCHEMBL5450208 0.83 EGLN1 (0.37) KMT2A

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed

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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H WDR5 1380/4885KMT2A 1470/4885

“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.