SCHEMBL10198780

SCHEMBL10198780

CNc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.68
APBA1 Q02410 1/20 0.68
HDAC1 Q13547 8/20 0.59
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
F10 P00742 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 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
SCHEMBL10874930 0.88 MEN1 (0.58) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL12506291 0.87 CACNA1B (0.73) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL14299600 0.86 CACNA1B (0.66) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL14701415 0.84 HPGD (0.70) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL27645638 0.83 POLB (0.67) HDAC1MEN1KMT2AF10HDAC3
Tacedinaline SCHEMBL144794 0.83 HDAC1 (0.74) CACNA1BAPBA1HDAC1HDAC3HDAC2
Tacedinaline SCHEMBL29482198 0.83 HDAC1 (0.74) CACNA1BAPBA1HDAC1HDAC3HDAC2
SCHEMBL2989065 0.82 CACNA1B (0.60) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL338564 0.81 MEN1 (0.58) HDAC1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12772616 0.81 NPC1 (0.68) ALDH1A1L3MBTL1MEN1KMT2AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795597-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-24 US disclosed
US-20170239274-A1 COMBINATION NOVARTIS PHARMA AG (CH) 2017-08-24 US disclosed
US-20170189408-A1 NOVEL PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2017-07-06 US disclosed
US-20170020878-A1 COMBINATION COMPRISING A BTK INHIBITOR AND AN AKT INHIBITOR NOVARTIS AG (CH) 2017-01-26 US disclosed
US-20160235714-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-08-18 US disclosed
US-20160228456-A1 COMBINATION NOVARTIS PHARMA AG (CH) 2016-08-11 US disclosed
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-08-04 US disclosed
US-9399021-B2 Pharmaceutical composition NOVARTIS AG (CH) 2016-07-26 US disclosed
US-9271941-B2 Pharmaceutical composition NOVARTIS AG (CH) 2016-03-01 US disclosed
US-20150374859-A1 Imaging compounds for tracking histone deacetylase inhibitor and synthesis method thereof INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2015-12-31 US disclosed
US-20150284360-A1 AMIDE DERIVATIVES OF ANILINE-RELATED COMPOUNDS AND COMPOSITIONS THEREOF C & C BIOPHARMA LLC (US) 2015-10-08 US disclosed
US-20150284360-A1 AMIDE DERIVATIVES OF ANILINE-RELATED COMPOUNDS AND COMPOSITIONS THEREOF C & C BIOPHARMA LLC (US) 2015-10-08 US disclosed
US-9085622-B2 Antigen binding proteins GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-07-21 US disclosed
US-8853408-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-07 US disclosed
US-20140154316-A1 NOVEL PHARMACEUTICAL COMPOSITION GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-06-05 US disclosed
US-20140037726-A1 NOVEL PHARMACEUTICAL COMPOSITION GLAXOSMITHKLINE LLC (US) 2014-02-06 US disclosed
US-20140018393-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS Glaxo Smith Kline LLC 2014-01-16 US disclosed
US-20130156779-A1 NOVEL ANTIGEN BINDING PROTEINS GLAXO GROUP LIMITED (GB) 2013-06-20 US disclosed
US-20120302579-A1 CANCER TREATMENT METHOD GLAXOSMITHKLINE LLC 2012-11-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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 (14 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-20170239274-A1 COMBINATION CYP17A1, HSD17B11, HSD17B1 CACNA1B 4565/4885APBA1 3263/4885HDAC1 128/4885
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B CACNA1B 2936/4885APBA1 2786/4885HDAC1 67/4885
US-20150374859-A1 Imaging compounds for tracking histone deacetylase inhibitor and synthesis method thereof HDAC7, HDAC8, HDAC1 CACNA1B 2376/4885APBA1 2805/4885HDAC1 3/4885
US-20120302579-A1 CANCER TREATMENT METHOD MPL, TPO, PROKR1 CACNA1B 4238/4885APBA1 4431/4885HDAC1 4523/4885
US-20130156779-A1 NOVEL ANTIGEN BINDING PROTEINS CD2BP2, HSPBP1, LGALS3BP CACNA1B 4189/4885APBA1 111/4885HDAC1 3555/4885
US-20150284360-A1 AMIDE DERIVATIVES OF ANILINE-RELATED COMPOUNDS AND COMPOSITIONS THEREOF AADAC, AAAS, NAT1 CACNA1B 3410/4885APBA1 883/4885HDAC1 266/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R CACNA1B 3694/4885APBA1 415/4885HDAC1 2055/4885
US-20170020878-A1 COMBINATION COMPRISING A BTK INHIBITOR AND AN AKT INHIBITOR BTK, PIK3CD, PIK3CA CACNA1B 2525/4885APBA1 4084/4885HDAC1 842/4885
US-20140154316-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR CACNA1B 3086/4885APBA1 4166/4885HDAC1 1261/4885
US-20140018393-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B CACNA1B 2936/4885APBA1 2786/4885HDAC1 67/4885
US-20160228456-A1 COMBINATION CYP17A1, HSD17B11, HSD17B1 CACNA1B 4600/4885APBA1 3103/4885HDAC1 143/4885
US-20160235714-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER AR, PIK3CA, NR5A1 CACNA1B 1087/4885APBA1 2305/4885HDAC1 7/4885
US-20140037726-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR CACNA1B 3086/4885APBA1 4166/4885HDAC1 1261/4885
US-20170189408-A1 NOVEL PHARMACEUTICAL COMPOSITION TTR, PHOSPHO1, PLA2G2C CACNA1B 2730/4885APBA1 4193/4885HDAC1 1427/4885

“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.