SCHEMBL10198766

SCHEMBL10198766

CONC(=O)/C=C/c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.59
HDAC4 P56524 5/20 0.56
MEF2D Q14814 5/20 0.56
FFAR1 O14842 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 2/20 0.54
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
EP300 Q09472 1/20 0.49

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
SCHEMBL10456019 0.85 HDAC4 (0.75) HDAC1HDAC4MEF2DFFAR1MMP1
(E)-N-Methoxycinnamamide SCHEMBL13527482 0.81 ALDH1A1 (0.65) HDAC1HDAC4MMP1MMP2MMP9
SCHEMBL10198772 0.79 CA1 (0.49) HDAC1HDAC4FFAR1CA1CA2
SCHEMBL11461243 0.79 MAPT (0.59) HDAC1HDAC4MEF2DFFAR1CA1
SCHEMBL11461242 0.79 MAPT (0.59) HDAC1HDAC4MEF2DFFAR1CA1
SCHEMBL7770347 0.78 CA1 (0.83) HDAC1FFAR1CA1CA2HDAC3
SCHEMBL9448718 0.78 MAOB (0.69) HDAC1CA1CA2
SCHEMBL9448716 0.78 MAOB (0.69) HDAC1CA1CA2
N-Benzylaniline SCHEMBL28648928 0.76 HDAC4 (0.70) HDAC1HDAC4MEF2DFFAR1MMP1
SCHEMBL8349161 0.75 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3HDAC2

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-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-20150342957-A1 COMBINATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-03 US disclosed
US-20150313906-A1 COMBINATION GLAXOSMITHKLINE LLC 2015-11-05 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 HDAC1 128/4885HDAC4 753/4885MEF2D 3836/4885
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC1 67/4885HDAC4 121/4885MEF2D 2840/4885
US-20120302579-A1 CANCER TREATMENT METHOD MPL, TPO, PROKR1 HDAC1 4523/4885HDAC4 3805/4885MEF2D 4863/4885
US-20130156779-A1 NOVEL ANTIGEN BINDING PROTEINS CD2BP2, HSPBP1, LGALS3BP HDAC1 3555/4885HDAC4 3147/4885MEF2D 3216/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HDAC1 2055/4885HDAC4 3077/4885MEF2D 2767/4885
US-20170020878-A1 COMBINATION COMPRISING A BTK INHIBITOR AND AN AKT INHIBITOR BTK, PIK3CD, PIK3CA HDAC1 842/4885HDAC4 1224/4885MEF2D 2100/4885
US-20140154316-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR HDAC1 1261/4885HDAC4 1122/4885MEF2D 2474/4885
US-20140018393-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC1 67/4885HDAC4 121/4885MEF2D 2840/4885
US-20160228456-A1 COMBINATION CYP17A1, HSD17B11, HSD17B1 HDAC1 143/4885HDAC4 994/4885MEF2D 4001/4885
US-20160235714-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER AR, PIK3CA, NR5A1 HDAC1 7/4885HDAC4 67/4885MEF2D 1024/4885
US-20140037726-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR HDAC1 1261/4885HDAC4 1122/4885MEF2D 2474/4885
US-20150313906-A1 COMBINATION EZH2, BMI1, DOT1L HDAC1 16/4885HDAC4 54/4885MEF2D 645/4885
US-20170189408-A1 NOVEL PHARMACEUTICAL COMPOSITION TTR, PHOSPHO1, PLA2G2C HDAC1 1427/4885HDAC4 1127/4885MEF2D 1800/4885
US-20150342957-A1 COMBINATION PAICS, CA6, CA5A HDAC1 67/4885HDAC4 27/4885MEF2D 2390/4885

“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.