SCHEMBL10201044

SCHEMBL10201044

CNC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 3/20 0.68
MAPK1 P28482 2/20 0.68
HTT P42858 2/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
XBP1 P17861 1/20 0.68
EPHX2 P34913 3/20 0.66
NR1H4 Q96RI1 1/20 0.66
TRPV1 Q8NER1 4/20 0.64
ALDH1A1 P00352 1/20 0.60
KIF11 P52732 1/20 0.58
EPHX1 P07099 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PDK1 Q15118 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
SCHEMBL11767622 0.90 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL2730172 0.90 MAPT (0.81) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL13756246 0.90 MAPT (0.81) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL10155599 0.85 ALDH1A1 (0.78) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL12585027 0.82 MAPT (0.71) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL17072026 0.82 EPHX2 (0.74) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL13141239 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL9037064 0.82 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL12413880 0.82 EPHX2 (0.78) NPC1RAB9AMAPTHTTKMT2A
SCHEMBL20458866 0.82 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMAPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-10640462-B2 Oil gelator NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2020-05-05 US disclosed
EP-3381995-B1 OIL-GELLING AGENT UNIV SHIZUOKA NAT UNIV CORP (JP) 2019-10-23 EP disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
WO-2015013256-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2015-01-29 WO disclosed
WO-2014153001-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
WO-2014100662-A1 DOT1 L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. (US) 2014-06-26 WO disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
WO-2014026198-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2014-02-13 WO disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US 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 (10 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 NPC1 1594/4885RAB9A 2637/4885SMN1; SMN2 1240/4885
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 NPC1 2475/4885RAB9A 2832/4885SMN1; SMN2 4588/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 NPC1 1827/4885RAB9A 1048/4885SMN1; SMN2 2921/4885
US-10640462-B2 Oil gelator MGLL, CCNL2, CCNI NPC1 1844/4885RAB9A 3745/4885SMN1; SMN2 3638/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 NPC1 1866/4885RAB9A 193/4885SMN1; SMN2 4073/4885
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 NPC1 1675/4885RAB9A 3204/4885SMN1; SMN2 4761/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA NPC1 1225/4885RAB9A 1302/4885SMN1; SMN2 3221/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 NPC1 2896/4885RAB9A 546/4885SMN1; SMN2 4865/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 NPC1 2896/4885RAB9A 546/4885SMN1; SMN2 4865/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB NPC1 1607/4885RAB9A 3062/4885SMN1; SMN2 4745/4885

“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.