SCHEMBL12425754

SCHEMBL12425754

O=C(/C=C/c1ccccc1F)NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.64
HDAC6 Q9UBN7 6/20 0.64
HDAC1 Q13547 5/20 0.64
HDAC2 Q92769 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
MAOB P27338 2/20 0.54
NFE2L2 Q16236 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
EGFR P00533 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL14244763 1.00 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL31482410 0.87 NFE2L2 (0.56) HDAC8HDAC6HDAC1MAOBNFE2L2
SCHEMBL3581316 0.80 NFE2L2 (0.62) MAOBNFE2L2CYP1A2CYP2D6CYP1B1
SCHEMBL3581314 0.80 NFE2L2 (0.62) MAOBNFE2L2CYP1A2CYP2D6CYP1B1
SCHEMBL10698511 0.80 SMN1; SMN2 (0.55) MAOBNFE2L2CYP1A2CYP2D6CYP1B1
SCHEMBL14244199 0.79 HDAC8 (0.66) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL12426301 0.79 HDAC8 (0.66) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL14244421 0.79 HSD11B1 (0.69) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL12425757 0.79 HSD11B1 (0.69) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL15128579 0.79 RAB9A (0.48) HDAC8HDAC6HDAC1MAOBNFE2L2

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 HDAC8 3068/4885HDAC6 3877/4885HDAC1 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.