SCHEMBL6802497

SCHEMBL6802497

O=CN(c1ccc(Cl)cn1)c1cc(Cl)ccc1NC(=O)c1ccc(Cc2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
F10 P00742 18/20 0.43
KLKB1 P03952 4/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6807862 0.79 F10 (0.63) F10KLKB1
SCHEMBL6807158 0.77 F10 (0.42) F10NPC1RAB9A
SCHEMBL890803 0.74 F10 (0.47) F10
SCHEMBL891101 0.73 F10 (0.52) F10KLKB1
SCHEMBL891124 0.70 F10 (0.47) F10KLKB1NPC1RAB9A
SCHEMBL157569 0.69 F10 (0.47) KDM4EF10NPC1RAB9A
SCHEMBL6712468 0.68 F10 (0.40) F10
SCHEMBL10178317 0.66 F10 (0.75) F10KLKB1
SCHEMBL890814 0.64 TSHR (0.35) GAA
SCHEMBL30271022 0.64 L3MBTL1 (0.65) KDM4ENPC1RAB9A

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-20040067938-A1 Quaternary amines and related inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-08 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-20040067938-A1 Quaternary amines and related inhibitors of factor xa F12, TFPI, F11 KDM4E 645/4885GAA 1113/4885F10 4/4885

“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.