SCHEMBL4254150

SCHEMBL4254150

O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.80
KMT2A Q03164 7/20 0.80
NPC1 O15118 7/20 0.80
RAB9A P51151 6/20 0.80
KDM4E B2RXH2 4/20 0.80
MAPT P10636 3/20 0.80
PKM P14618 1/20 0.80
BCAT2 O15382 1/20 0.76
HDAC8 Q9BY41 1/20 0.65
KCNQ3 O43525 1/20 0.65
KCNQ2 O43526 1/20 0.65
KCNE1 P15382 1/20 0.65
KCNQ1 P51787 1/20 0.65
LMNA P02545 2/20 0.64
EPHX1 P07099 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
EPHX2 P34913 1/20 0.64

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
SCHEMBL2681347 0.89 NPC1 (0.80) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2982452 0.88 MEN1 (0.77) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4254970 0.86 RAB9A (0.75) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL667807 0.86 BCAT2 (0.77) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3089807 0.86 MEN1 (0.75) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3645013 0.86 MEN1 (0.74) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10939703 0.85 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9767723 0.85 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL611657 0.85 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12190100 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9AKDM4E

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-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US claimed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US claimed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP claimed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 MEN1 3631/4885KMT2A 3687/4885NPC1 1096/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MEN1 1233/4885KMT2A 632/4885NPC1 869/4885

“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.