SCHEMBL645561

SCHEMBL645561

Clc1cccc(Cl)c1COc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 5/20 0.66
KDM4E B2RXH2 6/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 6/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 4/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
BDKRB2 P30411 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL6021515 0.84 RAB9A (0.67) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL6026693 0.82 RAB9A (0.57) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL6026966 0.81 RAB9A (0.59) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL6027348 0.81 KDM4E (0.58) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL7746973 0.80 BDKRB2 (0.82) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL6027050 0.79 NPC1 (0.75) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4438607 0.79 NPC1 (0.66) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL488951 0.79 NPC1 (0.61) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL6026902 0.78 NPC1 (0.64) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL6027127 0.78 KDM4E (0.55) RAB9ANPC1KDM4EMEN1KMT2A

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 16 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
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 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

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 RAB9A 3220/4885NPC1 948/4885KDM4E 3261/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B RAB9A 3220/4885NPC1 948/4885KDM4E 3261/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 RAB9A 3323/4885NPC1 963/4885KDM4E 3018/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 RAB9A 3401/4885NPC1 1045/4885KDM4E 2997/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B RAB9A 3588/4885NPC1 1043/4885KDM4E 2983/4885

“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.