SCHEMBL645169

SCHEMBL645169

O=c1c(Cl)c(O)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 7/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GLA P06280 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.48
ENPP2 Q13822 1/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ELANE P08246 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL7011270 0.79 MAPT (0.62) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL21287698 0.79 MAPT (0.55) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL10970382 0.77 KDM4E (0.51) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL29952952 0.77 MAPT (0.68) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL2218011 0.77 THRB (0.62) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL23022393 0.76 MAPT (0.55) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL10201502 0.76 ELANE (0.52) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL29677209 0.76 THRB (0.57) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL24697550 0.74 KDM4E (0.56) MAPTKDM4ENPSR1GLAALDH1A1
SCHEMBL5131549 0.72 KDM4E (0.62) MAPTKDM4ENPSR1GLAALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
US-5466701-A Degenerative diseases STERLING WINTHROP INC. (US) 1995-11-14 US disclosed
US-5378720-A Treatment of rheumatoid arthritis, emphysema, pancreatitis STERLING WINTHROP INC. (US) 1995-01-03 US disclosed
EP-0626378-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-11-30 EP 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 (5 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885KDM4E 3261/4885NPSR1 4495/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885KDM4E 3261/4885NPSR1 4495/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 MAPT 1774/4885KDM4E 3018/4885NPSR1 4486/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 MAPT 1727/4885KDM4E 2997/4885NPSR1 4452/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B MAPT 1841/4885KDM4E 2983/4885NPSR1 4504/4885

“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.