SCHEMBL10313019

SCHEMBL10313019

O=C(NCc1cn(-c2ccc(N3CCOCC3=O)nc2)nn1)C1=CCC(Cl)S1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
ABCB11 O95342 1/20 0.36
F2 P00734 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
MIF P14174 6/20 0.36
P2RX7 Q99572 1/20 0.35
NOTUM Q6P988 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
SCHEMBL10313118 0.88 NAMPT (0.40) MIFP2RX7NOTUM
SCHEMBL10313039 0.83 F10 (0.44) F10
SCHEMBL1098231 0.82 F10 (0.54) F10ABCB11F2ST14MIF
SCHEMBL13886965 0.81 NAMPT (0.40) MIFNOTUM
SCHEMBL13886815 0.76 P2RX7 (0.51) MIFP2RX7NOTUM
SCHEMBL13181164 0.75 MIF (0.39) MIFNOTUM
SCHEMBL14450639 0.73 MIF (0.42) F10MIFNOTUM
SCHEMBL14450888 0.73 F10 (0.43) F10MIFNOTUM
SCHEMBL1097501 0.72 F10 (0.62) F10ABCB11F2ST14MIF
SCHEMBL14450606 0.72 MIF (0.41) MIFNOTUM

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885ABCB11 223/4885F2 5/4885

“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.