SCHEMBL8156583

SCHEMBL8156583

O=C(NCc1cn(-c2ccc(I)cc2OC(F)(F)F)nn1)c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.41
HPGD P15428 2/20 0.40
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 4/20 0.37
EPHX2 P34913 6/20 0.36
TSHR P16473 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL1099852 0.85 MIF (0.45) MIFHPGDKDM4ELMNAP2RX7
SCHEMBL1751960 0.83 F10 (0.49) F10
SCHEMBL8166637 0.82 MIF (0.45) MIFHPGDNOTUMKDM4ELMNA
SCHEMBL8160461 0.82 MIF (0.45) MIFHPGDNOTUMKDM4ELMNA
SCHEMBL1106557 0.79 MIF (0.61) MIFHPGDNOTUMKDM4ELMNA
SCHEMBL3087689 0.77 MIF (0.48) MIFHPGDNOTUMEPHX2
SCHEMBL1106568 0.73 MIF (0.43) MIFHPGDKDM4ELMNAP2RX7
SCHEMBL8278997 0.73 MIF (0.43) MIFHPGDKDM4ELMNAP2RX7
SCHEMBL1095795 0.72 MIF (0.44) MIFHPGDNOTUMP2RX7F10
SCHEMBL1752041 0.72 F10 (0.51) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008086226-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 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 (2 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-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MIF 837/4885HPGD 429/4885NOTUM 361/4885
US-20110160196-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 837/4885HPGD 429/4885NOTUM 361/4885

“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.