SCHEMBL719005

SCHEMBL719005

COC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 3/20 0.54
PKM P14618 3/20 0.54
RAB9A P51151 3/20 0.54
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL2169866 0.83 MAPT (0.61) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL718330 0.80 HDAC3 (0.61) KDM4ENPC1MAPTPOLBGAA
SCHEMBL1530164 0.78 KDM4E (0.62) KDM4EMAPK1PKMRAB9AABCB1
SCHEMBL22278705 0.77 LMNA (0.55) KDM4EMAPK1PKMRAB9AABCB1
SCHEMBL1762404 0.77 MAPK1 (0.63) KDM4EMAPK1PKMRAB9AABCB1
SCHEMBL720831 0.76 ABCB1 (0.55) RAB9AABCB1ABCC1NPC1MAPT
SCHEMBL30436271 0.75 ALDH1A1 (0.47) KDM4EPKMABCB1ABCC1MAPT
SCHEMBL12468432 0.75 POLB (0.59) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL978546 0.75 MAPT (0.64) KDM4EMAPK1PKMRAB9AABCB1
SCHEMBL31331661 0.75 MAPT (0.64) KDM4EMAPK1PKMRAB9AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381196-B2 Compounds, pharmaceutical compositions and methods of use of hydroxamic acid derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-07-05 US disclosed
US-20150196559-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-07-16 US disclosed
US-8987468-B2 Compounds, pharmaceutical compositions and methods of use of hydroxamic acid derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 US disclosed
WO-2009100045-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2009-08-13 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 (2 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 KDM4E 449/4885MAPK1 4387/4885PKM 1209/4885
US-20150196559-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 KDM4E 449/4885MAPK1 4387/4885PKM 1209/4885

“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.