SCHEMBL12425709

SCHEMBL12425709

O=C1c2ccccc2C(=O)N1C/C=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.56
CYP19A1 P11511 1/20 0.55
FBP1 P09467 1/20 0.51
VCP P55072 1/20 0.51
SCN2A Q99250 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAOB P27338 1/20 0.47
HPGD P15428 2/20 0.46
ALDH3A1 P30838 1/20 0.46
RCE1 Q9Y256 1/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL18041341 0.87 NFE2L2 (0.54) NFE2L2CYP19A1FBP1VCPSCN2A
SCHEMBL18041344 0.87 NFE2L2 (0.54) NFE2L2CYP19A1FBP1VCPSCN2A
SCHEMBL12426130 0.86 SCN2A (0.53) CYP19A1FBP1SCN2AALDH1A1MAPT
SCHEMBL18041301 0.85 NFE2L2 (0.51) NFE2L2CYP19A1FBP1VCPSCN2A
SCHEMBL18041300 0.85 NFE2L2 (0.51) NFE2L2CYP19A1FBP1VCPSCN2A
SCHEMBL10351238 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTALDH3A1
SCHEMBL12425708 0.79 ALDH1A1 (0.58) ALDH1A1MAOBALDH3A1RCE1
SCHEMBL23847348 0.78 ALDH1A1 (0.69) SCN2AALDH1A1MEN1KMT2AMAPT
SCHEMBL10421306 0.78 ALDH1A1 (0.69) SCN2AALDH1A1MEN1KMT2AMAPT
SCHEMBL12426962 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTALDH3A1

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 5 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-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 NFE2L2 3410/4885CYP19A1 4805/4885FBP1 1018/4885

“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.