SCHEMBL1096594

SCHEMBL1096594

O=C(NCc1cc(-c2ccc(N3CCOCC3)cc2)no1)c1ccc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.55
POLB P06746 1/20 0.47
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 2/20 0.46
ABCB11 O95342 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
HDAC1 Q13547 2/20 0.45
KDM1A O60341 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL1095511 0.93 F10 (0.55) F10POLBJAK2ALDH1A1HTT
SCHEMBL1096444 0.85 POLB (0.65) F10POLBJAK2ALDH1A1HTT
SCHEMBL1096369 0.84 POLB (0.54) F10POLBJAK2ALDH1A1HTT
SCHEMBL1098671 0.83 POLB (0.53) F10POLBJAK2ALDH1A1HTT
SCHEMBL1101073 0.83 POLB (0.56) F10POLBJAK2ALDH1A1HTT
SCHEMBL8277511 0.83 POLB (0.53) F10POLBJAK2ALDH1A1HTT
SCHEMBL1096332 0.83 POLB (0.53) F10POLBJAK2ALDH1A1HTT
SCHEMBL1095698 0.82 HPGD (0.53) F10POLBJAK2ALDH1A1HTT
SCHEMBL1097341 0.82 POLB (0.46) F10POLBJAK2ALDH1A1HTT
SCHEMBL1095938 0.82 F10 (0.49) F10POLBJAK2ALDH1A1HTT

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 13 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 claimed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
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-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-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 F10 8/4885POLB 3172/4885JAK2 1032/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885POLB 3172/4885JAK2 1032/4885

“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.