SCHEMBL12425741

SCHEMBL12425741

O=C(/C=C/c1cccc(O)c1)NO

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.69
HDAC8 Q9BY41 3/20 0.69
MMP1 P03956 12/20 0.69
MMP2 P08253 12/20 0.69
MMP9 P14780 12/20 0.69
HDAC3 O15379 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC4 P56524 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
MAOB P27338 1/20 0.64
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62

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
SCHEMBL14244489 1.00 HDAC2 (0.69) HDAC2HDAC8MMP1MMP2MMP9
SCHEMBL458025 0.84 MMP1 (0.67) MMP1MMP2MMP9MAOB
SCHEMBL458024 0.84 MMP1 (0.67) MMP1MMP2MMP9MAOB
SCHEMBL1319997 0.82 P4HB (0.76) HDAC2HDAC8HDAC3HDAC1HDAC4
SCHEMBL3292933 0.82 HDAC2 (1.00) HDAC2HDAC8MMP1MMP2MMP9
SCHEMBL1319996 0.82 P4HB (0.76) HDAC2HDAC8HDAC3HDAC1HDAC4
SCHEMBL3292923 0.82 HDAC2 (1.00) HDAC2HDAC8MMP1MMP2MMP9
SCHEMBL12426058 0.82 HSD17B3 (0.71) HDAC2HDAC8HDAC3HDAC1HDAC4
SCHEMBL14244643 0.82 HSD17B3 (0.71) HDAC2HDAC8HDAC3HDAC1HDAC4
SCHEMBL11974477 0.82 HDAC3 (0.64) HDAC2HDAC8HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 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 (1 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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC2 4243/4885HDAC8 3068/4885MMP1 981/4885

“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.