SCHEMBL6712477

SCHEMBL6712477

COc1cc(Cl)cc(N(C=O)c2ccc(Cl)cn2)c1NC(=O)c1ccc(C(=C2CCN2)N2CCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
F10 P00742 14/20 0.41
F2 P00734 9/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL6719151 0.91 F10 (0.44) KCNH2F10F2MEN1NPC1
SCHEMBL6718580 0.87 F10 (0.46) KCNH2F10F2
SCHEMBL6716150 0.81 F10 (0.42) KCNH2F10KLKB1
SCHEMBL7013030 0.81 F10 (0.31) F10
SCHEMBL6711620 0.78 KMT2A (0.33) F10KMT2A
SCHEMBL6711450 0.78 F10 (0.45) KCNH2F10MEN1KMT2A
SCHEMBL6712514 0.78 F10 (0.41) KCNH2F10F2NPC1RAB9A
SCHEMBL6711451 0.78 F10 (0.40) F10
SCHEMBL6712468 0.76 F10 (0.40) KCNH2F10
SCHEMBL5549885 0.76 KCNH2 (0.39) KCNH2F10MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077690-A1 Quaternary amidino based inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1322637-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026731-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA MILLENIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO 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-20040077690-A1 Quaternary amidino based inhibitors of factor xa F12, TFPI, F11 KCNH2 2891/4885F10 15/4885F2 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.