SCHEMBL6719151

SCHEMBL6719151

COc1cc(Cl)cc(N(C=O)c2ccc(Cl)cn2)c1NC(=O)c1ccc(C(=C2CCN2)N2CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.44
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.36
WDR5 P61964 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6712477 0.91 KCNH2 (0.44) F10NPC1RAB9AF2KCNH2
SCHEMBL6716150 0.90 F10 (0.42) F10KCNH2
SCHEMBL6711450 0.87 F10 (0.45) F10KCNH2MEN1KMT2A
SCHEMBL7013030 0.86 F10 (0.31) F10WDR5
SCHEMBL6711451 0.86 F10 (0.40) F10
SCHEMBL6712514 0.86 F10 (0.41) F10NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6714441 0.84 MEN1 (0.38) F10TP53SMN1; SMN2MEN1MAPT
SCHEMBL6712468 0.82 F10 (0.40) F10KCNH2
SCHEMBL6718580 0.78 F10 (0.46) F10F2KCNH2ALDH1A1
SCHEMBL5536664 0.73 F10 (0.40) F10NPC1TP53CYP1A2CYP3A4

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-20040077690-A1 Quaternary amidino based inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-22 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-20040077690-A1 Quaternary amidino based inhibitors of factor xa F12, TFPI, F11 F10 15/4885NPC1 2651/4885TP53 3489/4885

“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.