SCHEMBL12425705

SCHEMBL12425705

Nc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.64
HDAC8 Q9BY41 10/20 0.64
HDAC1 Q13547 10/20 0.64
HDAC3 O15379 9/20 0.64
HDAC6 Q9UBN7 9/20 0.64
HDAC4 P56524 5/20 0.64
HDAC10 Q969S8 5/20 0.61
HDAC11 Q96DB2 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61
HDAC7 Q8WUI4 4/20 0.61
HDAC9 Q9UKV0 4/20 0.61
ADAM17 P78536 1/20 0.59

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
SCHEMBL2635122 1.00 HDAC2 (0.64) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL5315671 0.82 MMP1 (0.71)
SCHEMBL20251150 0.82 MMP1 (0.71)
SCHEMBL18102186 0.81 HDAC2 (0.56) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL14244759 0.81 HDAC2 (0.89) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL5604340 0.81 HDAC2 (0.67) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL17485384 0.81 AKR1B1 (0.67) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL14244525 0.81 HDAC2 (0.67) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL5604342 0.81 HDAC2 (0.67) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL12425729 0.81 HDAC2 (0.89) HDAC2HDAC8HDAC1HDAC3HDAC6

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 7 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
WO-2013113841-A1 NOVEL THERAPEUTIC AGENTS EURO-CELTIQUE S.A. (LU) 2013-08-08 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
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 (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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC2 3/4885HDAC8 4/4885HDAC1 2/4885
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC2 4243/4885HDAC8 3068/4885HDAC1 3651/4885

“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.