SCHEMBL1096802

SCHEMBL1096802

CC(C)Oc1cc(C2=NCCN2C)ccc1-c1cc(CNC(=O)c2ccc(Cl)s2)on1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F10 P00742 11/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
JAK2 O60674 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1096689 0.92 ALDH1A1 (0.40) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1097406 0.90 POLB (0.36) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1096276 0.89 ALDH1A1 (0.36) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1096499 0.88 ALDH1A1 (0.43) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1097839 0.87 POLB (0.38) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1095892 0.86 POLB (0.38) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1097064 0.86 POLB (0.47) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1096633 0.85 POLB (0.37) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL1095584 0.84 F10 (0.42) LMNAPOLBALDH1A1MAPTF10
SCHEMBL1096490 0.80 SLC5A7 (0.39) LMNASLC5A7KDM4EF10

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 LMNA 734/4885POLB 3172/4885ALDH1A1 974/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 LMNA 734/4885POLB 3172/4885ALDH1A1 974/4885

“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.