SCHEMBL6714441

SCHEMBL6714441

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(N(C=O)c3ccc(Cl)cn3)c2NC(=O)c2ccc(C(=C3CCN3)N3CCC3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
F10 P00742 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN11 Q06124 1/20 0.34
MAPT P10636 4/20 0.34
TSHR P16473 1/20 0.34
CXCR3 P49682 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
NR3C1 P04150 1/20 0.32
ADK P55263 1/20 0.32
ATM Q13315 1/20 0.32
S1PR2 O95136 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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 0.84 F10 (0.44) MEN1KMT2AF10SMN1; SMN2MAPT
SCHEMBL6712514 0.78 F10 (0.41) KMT2AF10SMN1; SMN2NPSR1
SCHEMBL6712468 0.77 F10 (0.40) F10
SCHEMBL6712477 0.76 KCNH2 (0.44) MEN1KMT2AF10
SCHEMBL7013030 0.75 F10 (0.31) F10
SCHEMBL6718580 0.70 F10 (0.46) F10NPSR1
SCHEMBL6714046 0.68 F10 (0.58) F10
SCHEMBL957292 0.66 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL5536664 0.65 F10 (0.40) MEN1KMT2AF10SMN1; SMN2TP53
SCHEMBL22581684 0.64 MEN1 (0.59) MEN1KMT2AADKCKS1BSKP1

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 MEN1 589/4885KMT2A 3079/4885F10 15/4885

“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.