SCHEMBL1095346

SCHEMBL1095346

N=C(c1ccc(-c2cc(CNC(=O)c3ccc(Cl)s3)on2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
JAK2 O60674 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.40
F10 P00742 8/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1096412 0.99 POLB (0.44) POLBALDH1A1SMN1; SMN2HTTJAK2
SCHEMBL1106532 0.98 POLB (0.45) POLBALDH1A1SMN1; SMN2HTTJAK2
SCHEMBL1097341 0.92 POLB (0.46) POLBALDH1A1SMN1; SMN2HTTJAK2
SCHEMBL1095754 0.87 F10 (0.42) ALDH1A1LMNAHPGDKDM4EF10
SCHEMBL1095550 0.86 F10 (0.38) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1097229 0.86 F10 (0.41) ALDH1A1LMNAHPGDKDM4EF10
SCHEMBL1096827 0.86 HPGD (0.46) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1095511 0.86 F10 (0.55) POLBALDH1A1SMN1; SMN2HTTJAK2
SCHEMBL1096752 0.86 F10 (0.37) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1096746 0.85 F10 (0.49) POLBLMNAKDM4EF10TSHR

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
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 POLB 3172/4885ALDH1A1 974/4885SMN1; SMN2 4168/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 POLB 3172/4885ALDH1A1 974/4885SMN1; SMN2 4168/4885

“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.