SCHEMBL1078640

SCHEMBL1078640

O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.77
SLC2A1 P11166 1/20 0.67
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL12469095 0.89 NAMPT (0.91) NAMPTSLC2A1MEN1KMT2ATRPV1
SCHEMBL997939 0.89 NAMPT (0.82) NAMPTSLC2A1CYP11B1CYP11B2MEN1
SCHEMBL12077849 0.88 NAMPT (0.77) NAMPTSLC2A1MAPTMEN1KMT2A
SCHEMBL12079158 0.88 NAMPT (0.79) NAMPTSLC2A1MAPTMEN1KMT2A
SCHEMBL12077929 0.88 NAMPT (0.79) NAMPTSLC2A1CYP11B1CYP11B2MAPT
SCHEMBL12092991 0.88 NAMPT (0.77) NAMPTSLC2A1MAPTMEN1KMT2A
SCHEMBL12078042 0.88 NAMPT (0.77) NAMPTSLC2A1CYP11B1CYP11B2MAPT
SCHEMBL1078768 0.87 NAMPT (1.00) NAMPTSLC2A1MEN1KMT2ATRPV1
SCHEMBL12093347 0.87 NAMPT (0.76) NAMPTSLC2A1MAPTMEN1KMT2A
SCHEMBL12077675 0.87 NAMPT (0.82) NAMPTSLC2A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 US claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 US claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US 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
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 (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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NAMPT 624/4885SLC2A1 4252/4885CYP11B1 1543/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885SLC2A1 1/4885CYP11B1 1872/4885

“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.