SCHEMBL996592

SCHEMBL996592

[c]1ccccc1NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
RAD52 P43351 2/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
TSHR P16473 3/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.46
ACP1 P24666 1/20 0.46

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
SCHEMBL933304 0.78 KDM4E (0.51) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL3129274 0.78 LMNA (0.49) NPC1RAB9APOLBLMNAGLA
SCHEMBL1292252 0.77 KMT2A (0.63) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL5897141 0.77 KDM4E (0.47) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL2184093 0.76 ACHE (0.46) NPC1RAB9APOLBKMT2ANPSR1
SCHEMBL948461 0.75 KDM4E (0.48) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL5897460 0.75 RAB9A (0.54) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL28822179 0.75 POLB (0.59) POLBKDM4EKMT2ANPSR1TSHR
SCHEMBL996593 0.75 RAB9A (0.50) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL963770 0.74 LMNA (0.65) RAB9APOLBKMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 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 (1 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NPC1 2057/4885RAB9A 3590/4885POLB 156/4885

“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.