SCHEMBL1095504

SCHEMBL1095504

CN(C)CCN(C)C(=N)c1ccc(-c2cc(CN(C)C(=O)c3ccc(Cl)s3)on2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
MAPK1 P28482 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
POLB P06746 2/20 0.37
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.35
NOTUM Q6P988 2/20 0.35
USP30 Q70CQ3 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
JAK2 O60674 1/20 0.34
CXCR1 P25024 1/20 0.34
MAPT P10636 2/20 0.34
RAD52 P43351 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL1096742 0.93 CHRNB2 (0.37) HDAC4MAPK1CHRNB2CHRNA4POLB
SCHEMBL1096239 0.90 POLB (0.38) HDAC4CHRNB2CHRNA4POLBLMNA
SCHEMBL1096810 0.90 POLB (0.39) CHRNB2CHRNA4POLBKMT2ALMNA
SCHEMBL1096126 0.90 HDAC4 (0.41) HDAC4MAPK1CHRNB2CHRNA4POLB
SCHEMBL1097403 0.87 CHRNB2 (0.38) HDAC4CHRNB2CHRNA4POLBLMNA
SCHEMBL1106533 0.86 ALDH1A1 (0.42) CHRNB2CHRNA4KMT2ALMNAUSP30
SCHEMBL1097027 0.86 MAPK1 (0.47) HDAC4MAPK1POLBLMNASMN1; SMN2
SCHEMBL1096532 0.85 POLB (0.40) MAPK1CHRNB2CHRNA4POLBLMNA
SCHEMBL1096781 0.81 USP30 (0.40) CHRNB2CHRNA4POLBKMT2ALMNA
SCHEMBL1106534 0.81 USP30 (0.40) CHRNB2CHRNA4POLBKMT2ALMNA

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 14 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-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-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 HDAC4 1245/4885MAPK1 2929/4885CHRNB2 4779/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885MAPK1 2929/4885CHRNB2 4779/4885

“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.