SCHEMBL3098007

SCHEMBL3098007

COc1ncc(-c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)c(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.49
P2RX7 Q99572 7/20 0.42
HPGD P15428 1/20 0.40
NOTUM Q6P988 1/20 0.39
APP P05067 1/20 0.39
HSD11B1 P28845 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL3083002 0.82 MIF (0.53) MIFP2RX7HPGDNOTUMAPP
SCHEMBL3083403 0.79 MIF (0.55) MIFP2RX7HPGDNOTUMAPP
SCHEMBL3095051 0.79 MIF (0.55) MIFP2RX7HPGDNOTUM
SCHEMBL3095059 0.78 MIF (0.57) MIFP2RX7HPGDNOTUMAPP
SCHEMBL3283509 0.77 APP (0.50) MIFP2RX7HPGDNOTUMAPP
SCHEMBL3091423 0.76 MIF (0.62) MIFP2RX7HPGDNOTUMF10
SCHEMBL1106616 0.76 MIF (0.56) MIFP2RX7HPGDNOTUM
SCHEMBL1106557 0.76 MIF (0.61) MIFP2RX7HPGDNOTUM
SCHEMBL1095653 0.75 MIF (0.53) MIFP2RX7HPGDNOTUMAPP
SCHEMBL3087689 0.75 MIF (0.48) MIFHPGDNOTUMAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US claimed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US claimed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP claimed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO claimed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US claimed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MIF 792/4885P2RX7 1568/4885HPGD 439/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 792/4885P2RX7 1568/4885HPGD 439/4885

“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.