SCHEMBL22752133

SCHEMBL22752133

CNC(=O)CNCCN(C)C(=O)CN

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ANPEP P15144 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22068306 0.84 LMNA (0.31) KDM4E
SCHEMBL1844564 0.77 PRMT3 (0.42) CYP2C9CYP2C19ANPEPKDM4E
SCHEMBL22123554 0.77 PRMT3 (0.42)
SCHEMBL23789494 0.73
SCHEMBL13792972 0.71 KDM4E (0.53) KDM4E
SCHEMBL29460411 0.70 MCL1 (0.39)
Hydrochloric Acid SCHEMBL8984856 0.70 AOC3 (0.38)
SCHEMBL23789495 0.70 CA12 (0.48) CYP2C9CYP2C19KDM4E
SCHEMBL18743852 0.69
SCHEMBL14542570 0.68 KDM4E (0.45) CYP2C19KDM4E

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CYP2C9 52/4885CYP2C19 33/4885ANPEP 1442/4885

“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.