SCHEMBL1048281

SCHEMBL1048281

CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 1.00
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
RAB9A P51151 3/20 0.79
NPC1 O15118 2/20 0.79
LMNA P02545 2/20 0.73
ALDH1A1 P00352 1/20 0.73
MAPT P10636 1/20 0.73
HTT P42858 1/20 0.73
SLC2A1 P11166 1/20 0.73
TRPV1 Q8NER1 3/20 0.65
EPHX2 P34913 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL12090219 0.92 NAMPT (0.84) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL12090170 0.88 NAMPT (0.81) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL998206 0.88 NAMPT (1.00) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL7844235 0.86 LMNA (0.78) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL13483867 0.85 LMNA (1.00) NAMPTMEN1KMT2ARAB9ALMNA
SCHEMBL12078582 0.85 NAMPT (0.84) NAMPTMEN1KMT2ATRPV1
SCHEMBL12078275 0.85 NAMPT (1.00) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL12335301 0.81 KMT2A (0.87) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL14324802 0.81 KMT2A (0.87) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL12078119 0.81 LMNA (0.79) NAMPTMEN1KMT2ARAB9ALMNA

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 20 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-11959096-B2 Methods for selective inhibition of pluripotent stem cells THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2024-04-16 US disclosed
US-20210017489-A1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2021-01-21 US disclosed
US-10808222-B2 Methods for selective inhibition of pluripotent stem cells THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2020-10-20 US disclosed
US-20190300847-A1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS THE MEDICAL COLLEGE OF WISCONSIN, INC. 2019-10-03 US disclosed
US-10316287-B2 Methods for selective inhibition of pluripotent stem cells THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2019-06-11 US disclosed
EP-3097186-B1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS MEDICAL COLLEGE WISCONSIN INC (US) 2019-05-08 EP disclosed
EP-3097186-A1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS The Medical College of Wisconsin, Inc. (US) 2016-11-30 EP disclosed
US-20160340642-A1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS THE MEDICAL COLLEGE OF WISCONSIN, INC. 2016-11-24 US disclosed
WO-2015112581-A1 METHODS FOR SELECTIVE INHIBITION OF PLURIPOTENT STEM CELLS THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2015-07-30 WO disclosed
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 624/4885MEN1 2511/4885KMT2A 502/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885MEN1 1974/4885KMT2A 1511/4885

“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.