SCHEMBL12425751

SCHEMBL12425751

O=C(NO)C1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 1.00
ALDH1A1 P00352 3/20 0.71
HPGD P15428 1/20 0.63
DEGS1 O15121 2/20 0.61
NAMPT P43490 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.55
SIGMAR1 Q99720 2/20 0.54

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
SCHEMBL13485800 1.00 HDAC4 (1.00) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL14244203 1.00 HDAC4 (1.00) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL1224015 0.83 ALDH1A1 (1.00) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL6339509 0.83 HDAC4 (0.71) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL1224012 0.83 ALDH1A1 (1.00) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL24799099 0.83 HDAC4 (0.71) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL6241013 0.83 HDAC4 (0.71) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL16639029 0.83 HDAC4 (0.71) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL15706299 0.81 DEGS1 (0.82) HDAC4ALDH1A1HPGDDEGS1NAMPT
SCHEMBL12498693 0.80 HDAC4 (0.66) HDAC4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 EP claimed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 WO claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
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
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 EP disclosed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 WO disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP 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-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO 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 HDAC4 3300/4885ALDH1A1 4049/4885HPGD 1625/4885

“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.