SCHEMBL123585

SCHEMBL123585

Cc1ccc(C=O)c(NC(=O)C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 4/20 0.37
MAPT P10636 3/20 0.37
ADORA1 P30542 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16790819 0.84 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL29950915 0.83 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL29951599 0.83 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL247107 0.83 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2209190 0.83 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL10330649 0.81 CYP17A1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL8608832 0.78 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL125059 0.77 SMN1; SMN2 (0.38) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL14984326 0.77 ESR1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5678973 0.77 ALDH1A1 (0.49) L3MBTL1MEN1KMT2ASMN1; SMN2TP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315499-B2 Cytomegalovirus inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-11 US disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 WO disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO disclosed
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed
EP-0988045-A4 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2002-07-24 EP disclosed
EP-0988045-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN, Peter Eigil (DK) 2000-03-29 EP disclosed
WO-1998052595-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1998-11-26 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 (4 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 L3MBTL1 1826/4885MEN1 3642/4885KMT2A 2942/4885
US-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS CCNT1, CDKN1A, FOXM1 L3MBTL1 1216/4885MEN1 182/4885KMT2A 1885/4885
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 L3MBTL1 2891/4885MEN1 3765/4885KMT2A 2244/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT L3MBTL1 2024/4885MEN1 1810/4885KMT2A 1162/4885

“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.