SCHEMBL10176299

SCHEMBL10176299

CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KIF11 P52732 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NAMPT P43490 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
CYP17A1 P05093 2/20 0.52
TRPV1 Q8NER1 4/20 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
SCHEMBL20469627 0.92 MEN1 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL13055402 0.90 CYP17A1 (0.59) SMN1; SMN2L3MBTL1NAMPTCYP17A1PSMB8
SCHEMBL19853212 0.89 NAMPT (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1NAMPT
SCHEMBL28298376 0.87 NAMPT (0.52) SMN1; SMN2L3MBTL1NAMPTCYP17A1PDK1
SCHEMBL907174 0.87 NR1H4 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL20657635 0.87 NAMPT (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1138925 0.86 EPHX2 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20657636 0.85 UQCRB (0.63) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL23619661 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL20865536 0.85 CYP17A1 (0.68) SMN1; SMN2HTTKIF11L3MBTL1NAMPT

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-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-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-23 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (9 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 SMN1; SMN2 1162/4885MEN1 3426/4885KMT2A 997/4885
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance ABCG2, ABCC1, GLS SMN1; SMN2 1963/4885MEN1 3031/4885KMT2A 1004/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL SMN1; SMN2 2020/4885MEN1 454/4885KMT2A 437/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR SMN1; SMN2 3026/4885MEN1 1241/4885KMT2A 1463/4885
US-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 SMN1; SMN2 3263/4885MEN1 1585/4885KMT2A 3695/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 SMN1; SMN2 4833/4885MEN1 1085/4885KMT2A 1782/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 SMN1; SMN2 3927/4885MEN1 4301/4885KMT2A 2424/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB SMN1; SMN2 4745/4885MEN1 2299/4885KMT2A 956/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX SMN1; SMN2 1830/4885MEN1 2968/4885KMT2A 2710/4885

“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.