SCHEMBL14244643

SCHEMBL14244643

O=C(C=Cc1cccc(Br)c1)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.71
SLC6A19 Q695T7 1/20 0.69
HDAC2 Q92769 4/20 0.67
HDAC3 O15379 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC6 Q9UBN7 2/20 0.67
MAOB P27338 4/20 0.65
MAOA P21397 3/20 0.65
BACE1 P56817 1/20 0.65
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
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL12426058 1.00 HSD17B3 (0.71) HSD17B3SLC6A19HDAC2HDAC3HDAC1
SCHEMBL31482396 0.89 HSD17B3 (0.71) HSD17B3SLC6A19HDAC2HDAC3HDAC1
SCHEMBL31528763 0.88 MAOB (0.68) HSD17B3SLC6A19HDAC2HDAC3HDAC1
SCHEMBL16589017 0.84 BACE1 (0.82) HSD17B3SLC6A19MAOBMAOABACE1
SCHEMBL9781847 0.83 SLC6A19 (0.67) HSD17B3SLC6A19MAOBMAOABACE1
SCHEMBL9781858 0.83 SLC6A19 (0.67) HSD17B3SLC6A19MAOBMAOABACE1
SCHEMBL9781852 0.83 SLC6A19 (0.67) HSD17B3SLC6A19MAOBMAOABACE1
SCHEMBL1035543 0.83 HSD17B3 (0.79) HSD17B3SLC6A19MAOBMAOABACE1
SCHEMBL1035544 0.83 HSD17B3 (0.79) HSD17B3SLC6A19MAOBMAOABACE1
Cinromide SCHEMBL35055 0.82 SLC6A19 (1.00) HSD17B3SLC6A19MAOBMAOABACE1

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 3 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
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

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 HSD17B3 4054/4885SLC6A19 4279/4885HDAC2 4243/4885

“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.