SCHEMBL3082978

SCHEMBL3082978

O=C(NCc1cn(-c2ccc(-n3cc(OCCN4CCCCC4)ccc3=O)cc2)nn1)c1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
MIF P14174 3/20 0.45
F10 P00742 8/20 0.39
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38
HPGD P15428 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3095527 0.92 MIF (0.43) MAPK14MIFF10MCHR1
SCHEMBL3095211 0.86 MIF (0.48) MAPK14MIFF10HPGD
SCHEMBL3097953 0.85 F10 (0.44) MIFF10KCNH2HPGDSIGMAR1
SCHEMBL1095653 0.84 MIF (0.53) MIFF10HPGD
SCHEMBL13181198 0.82 MAPK14 (0.45) MAPK14MIFKCNH2MCHR1HRH3
SCHEMBL1097200 0.81 MIF (0.55) MIFF10HPGD
SCHEMBL3095421 0.81 F10 (0.44) MIFF10KCNH2HPGDSIGMAR1
SCHEMBL1752205 0.81 F10 (0.45) F10
SCHEMBL3101406 0.81 MIF (0.65) MIFF10HPGD
SCHEMBL1752370 0.80 F10 (0.46) 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 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 MAPK14 2024/4885MIF 792/4885F10 10/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK14 2024/4885MIF 792/4885F10 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.