SCHEMBL1106534

SCHEMBL1106534

CN(Cc1cc(-c2ccc(C(=N)N3CCC3)cc2)no1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.36
F10 P00742 5/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
JAK2 O60674 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VNN1 O95497 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UCHL1 P09936 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1096781 0.98 USP30 (0.40) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1096337 0.97 USP30 (0.39) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL8277542 0.90 USP30 (0.39) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1097250 0.89 USP30 (0.42) USP30CHRNB2CHRNA4ALDH1A1F10
SCHEMBL1096876 0.87 USP30 (0.38) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1096380 0.86 THRB (0.43) USP30CHRNB2CHRNA4ALDH1A1F10
SCHEMBL1096810 0.85 POLB (0.39) USP30CHRNB2CHRNA4ALDH1A1NOTUM
SCHEMBL1096239 0.83 POLB (0.38) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1096532 0.83 POLB (0.40) USP30CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1106532 0.83 POLB (0.45) ALDH1A1HPGDPOLBF10LMNA

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
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-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 USP30 3035/4885CHRNB2 4779/4885CHRNA4 4482/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 USP30 3035/4885CHRNB2 4779/4885CHRNA4 4482/4885

“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.