SCHEMBL3090079

SCHEMBL3090079

O=C(NCc1cn(-c2ccc(-n3cccc(OCCn4ccnc4)c3=O)cc2)nn1)c1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.42
HPGD P15428 1/20 0.39
F10 P00742 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TBXAS1 P24557 2/20 0.38
NAMPT P43490 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
SCHEMBL3091712 0.88 MIF (0.47) MIFHPGDF10
SCHEMBL14147682 0.87 MIF (0.47) MIFHPGDF10
SCHEMBL3100876 0.87 MIF (0.49) MIFHPGDF10
SCHEMBL3097953 0.87 F10 (0.44) MIFHPGDF10
SCHEMBL3087430 0.85 F10 (0.46) MIFF10
SCHEMBL3081555 0.85 MIF (0.45) MIFHPGDF10
SCHEMBL3082940 0.85 MIF (0.47) MIFHPGDF10MAPK1
SCHEMBL3091408 0.85 MIF (0.47) MIFHPGDF10
SCHEMBL3095421 0.84 F10 (0.44) MIFHPGDF10
SCHEMBL1752145 0.84 F10 (0.44) HPGDF10

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 11 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
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
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 792/4885HPGD 439/4885F10 10/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 792/4885HPGD 439/4885F10 10/4885

“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.