SCHEMBL1106616

SCHEMBL1106616

O=C(NCc1cn(-c2ccc(Cl)nc2)nn1)c1ccc(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.56
HPGD P15428 2/20 0.50
NOTUM Q6P988 1/20 0.47
P2RX7 Q99572 5/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3095051 0.92 MIF (0.55) MIFHPGDNOTUMP2RX7
SCHEMBL3098205 0.87 MIF (0.52) MIFHPGDNOTUMP2RX7
SCHEMBL1096940 0.86 MIF (0.51) MIFHPGDNOTUMP2RX7
SCHEMBL3095167 0.86 MIF (0.51) MIFHPGDNOTUMP2RX7
SCHEMBL1106557 0.84 MIF (0.61) MIFHPGDNOTUMP2RX7TSHR
SCHEMBL1096878 0.84 MIF (0.49) MIFHPGDNOTUMP2RX7TSHR
SCHEMBL1097349 0.84 MIF (0.52) MIFHPGDNOTUMP2RX7TSHR
SCHEMBL1098864 0.84 F10 (0.49) MIFHPGDP2RX7TSHRLMNA
SCHEMBL1096710 0.83 F10 (0.55) MIFHPGD
SCHEMBL3082953 0.83 MIF (0.59) MIFHPGDNOTUMP2RX7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
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-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 997/4885HPGD 316/4885NOTUM 578/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 997/4885HPGD 316/4885NOTUM 578/4885

“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.