SCHEMBL10456019

SCHEMBL10456019

O=C(/C=C/c1ccc(NCc2ccccc2)cc1)NO

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.75
MEF2D Q14814 7/20 0.75
HDAC1 Q13547 8/20 0.73
HDAC2 Q92769 6/20 0.73
HDAC3 O15379 5/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC6 Q9UBN7 4/20 0.62
HDAC7 Q8WUI4 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
MMP1 P03956 2/20 0.60
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
FFAR1 O14842 1/20 0.57

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
SCHEMBL21232320 0.86 HDAC4 (1.00) HDAC4MEF2D
SCHEMBL10198766 0.85 HDAC1 (0.59) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL13949978 0.82 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3
N-Benzylaniline SCHEMBL28648928 0.81 HDAC4 (0.70) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL13762663 0.81 HDAC8 (0.77) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL21232325 0.80 HDAC4 (1.00) HDAC4MEF2D
SCHEMBL21232043 0.80 HDAC4 (1.00) HDAC4MEF2D
SCHEMBL11461242 0.79 MAPT (0.59) HDAC4MEF2DHDAC1FFAR1
SCHEMBL11461243 0.79 MAPT (0.59) HDAC4MEF2DHDAC1FFAR1
SCHEMBL25118498 0.79 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-20180117011-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2018-05-03 US disclosed
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-01-04 US disclosed
US-9346840-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-05-24 US disclosed
US-20150328320-A1 Novel Pharmaceutical Composition GLAXO GROUP LIMITED (GB) 2015-11-19 US disclosed
US-20150306099-A1 COMBINATION GLAXOSMITHKLINE LLC 2015-10-29 US disclosed
US-9155706-B2 Pharmaceutical composition NOVARTIS AG (CH) 2015-10-13 US disclosed
US-20140371176-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-18 US disclosed
US-8580304-B2 Pharmaceutical composition GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-20130266649-A1 NOVEL PHARMACEUTICAL COMPOSITION GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-10-10 US disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120183613-A1 Novel Pharmaceutical Composition NOVARTIS PHARMACEUTICALS CORPORATION 2012-07-19 US disclosed
US-20110160130-A1 CANCER TREATMENT METHOD GLAXOSMITHKLINE LLC 2011-06-30 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 (11 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-20110160130-A1 CANCER TREATMENT METHOD MPL, TPO, PROKR1 HDAC4 2725/4885MEF2D 4836/4885HDAC1 3143/4885
US-20150306099-A1 COMBINATION VHL, CA5A, HRAS HDAC4 92/4885MEF2D 4016/4885HDAC1 111/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 HDAC4 1814/4885MEF2D 4568/4885HDAC1 649/4885
US-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB HDAC4 1107/4885MEF2D 2367/4885HDAC1 654/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HDAC4 3077/4885MEF2D 2767/4885HDAC1 2055/4885
US-20120183613-A1 Novel Pharmaceutical Composition PHOSPHO1, PLA2G2C, TTR HDAC4 1122/4885MEF2D 2474/4885HDAC1 1261/4885
US-20130266649-A1 NOVEL PHARMACEUTICAL COMPOSITION PHOSPHO1, PLA2G2C, TTR HDAC4 1122/4885MEF2D 2474/4885HDAC1 1261/4885
US-20150328320-A1 Novel Pharmaceutical Composition TTR, PLA2G2C, LIPA HDAC4 1099/4885MEF2D 2102/4885HDAC1 1442/4885
US-20180117011-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER AR, PIK3CA, NR5A1 HDAC4 67/4885MEF2D 1024/4885HDAC1 7/4885
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC4 121/4885MEF2D 2840/4885HDAC1 67/4885
US-20140371176-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B HDAC4 121/4885MEF2D 2840/4885HDAC1 67/4885

“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.