SCHEMBL12425713

SCHEMBL12425713

O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALDH3A1 P30838 1/20 0.43
RCE1 Q9Y256 1/20 0.43
HSD11B1 P28845 2/20 0.42
GLS O94925 1/20 0.42
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GSK3B P49841 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TYR P14679 1/20 0.38

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
SCHEMBL12426300 0.81 CASP3 (0.45) CASP3ALDH1A1ALDH3A1RCE1GLS
SCHEMBL12425712 0.81 CASP3 (0.45) CASP3ALDH1A1ALDH3A1RCE1CA12
SCHEMBL12426118 0.81 CASP3 (0.45) CASP3RAB9AALDH1A1ALDH3A1RCE1
SCHEMBL12426109 0.81 NR1H2 (0.56) CASP3RAB9AALDH1A1ALDH3A1RCE1
SCHEMBL10723362 0.81 CASP3 (0.45) CASP3ALDH1A1ALDH3A1RCE1CA12
SCHEMBL12426111 0.81 NFE2L2 (0.47) CASP3ALDH1A1ALDH3A1RCE1POLB
SCHEMBL4468251 0.78 CASP3 (0.60) CASP3ALDH1A1ALDH3A1RCE1GLS
SCHEMBL4476083 0.78 CASP3 (0.60) CASP3ALDH1A1ALDH3A1RCE1GLS
SCHEMBL8950475 0.78 CASP3 (0.60) CASP3ALDH1A1ALDH3A1RCE1GLS
SCHEMBL12426121 0.77 ALDH1A1 (0.54) CASP3ALDH1A1ALDH3A1RCE1GLS

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 CASP3 3199/4885RAB9A 368/4885ALDH1A1 4049/4885

“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.