SCHEMBL997939

SCHEMBL997939

O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.82
SLC2A1 P11166 1/20 0.77
CYP11B1 P15538 1/20 0.67
CYP11B2 P19099 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.59
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL12093361 0.90 NAMPT (0.83) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL1078768 0.90 NAMPT (1.00) NAMPTSLC2A1MEN1KMT2ATRPV1
SCHEMBL12469095 0.90 NAMPT (0.91) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL995932 0.89 NAMPT (0.82) NAMPTSLC2A1CYP11B1CYP11B2MEN1
SCHEMBL12077801 0.89 NAMPT (1.00) NAMPTSLC2A1CYP11B1CYP11B2MEN1
SCHEMBL12078248 0.89 NAMPT (1.00) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL12078260 0.89 NAMPT (0.82) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL12077866 0.89 NAMPT (0.82) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL11387619 0.89 NAMPT (0.84) NAMPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL1078640 0.89 NAMPT (0.77) NAMPTSLC2A1CYP11B1CYP11B2MEN1

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 18 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
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO 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
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
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO 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.