SCHEMBL1045894

SCHEMBL1045894

CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.70
SLC2A1 P11166 1/20 0.70
HDAC3 O15379 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 5/20 0.56
HTT P42858 1/20 0.56
KCNQ3 O43525 3/20 0.54
KCNQ2 O43526 3/20 0.54
KCNE1 P15382 3/20 0.54
KCNQ1 P51787 3/20 0.54
HPGD P15428 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
BACE1 P56817 1/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL1043166 0.89 NAMPT (0.74) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL1045062 0.88 NAMPT (0.70) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12077249 0.88 NAMPT (0.70) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12078307 0.88 NAMPT (0.70) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12077464 0.86 NAMPT (0.68) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12078318 0.86 NAMPT (0.68) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL14051568 0.83 KCNQ3 (0.74) NAMPTHDAC3HDAC8HDAC6KCNQ3
SCHEMBL12078114 0.83 NAMPT (0.72) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12078275 0.82 NAMPT (1.00) NAMPTSLC2A1HDAC3HDAC8HDAC6
SCHEMBL12078481 0.82 NAMPT (0.77) NAMPTSLC2A1HDAC3HDAC8HDAC6

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 11 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
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

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 4252/4885HDAC3 182/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885SLC2A1 1/4885HDAC3 2057/4885

“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.