SCHEMBL1096276

SCHEMBL1096276

CN1CCN=C1c1ccc(-c2cc(CNC(=O)c3ccc(Cl)s3)on2)c(Oc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
F10 P00742 9/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
DGAT2 Q96PD7 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL1096499 0.94 ALDH1A1 (0.43) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1096689 0.91 ALDH1A1 (0.40) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1097406 0.90 POLB (0.36) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1096802 0.89 LMNA (0.38) ALDH1A1HTTMAPTF10POLB
SCHEMBL1097839 0.86 POLB (0.38) ALDH1A1HTTMAPTF10POLB
SCHEMBL1095892 0.86 POLB (0.38) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1097064 0.85 POLB (0.47) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1096633 0.85 POLB (0.37) ALDH1A1HTTMAPTF10HPGD
SCHEMBL1095584 0.84 F10 (0.42) ALDH1A1MAPTF10POLBLMNA
SCHEMBL1096295 0.80 HPGD (0.39) ALDH1A1MAPTF10HPGDPOLB

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 ALDH1A1 974/4885HTT 3109/4885MAPT 3722/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885HTT 3109/4885MAPT 3722/4885

“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.