SCHEMBL12425720

SCHEMBL12425720

O=C1c2ccccc2C(=O)N1C/C=C/c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALDH3A1 P30838 1/20 0.50
RCE1 Q9Y256 1/20 0.50
NFE2L2 Q16236 5/20 0.49
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH2 P05091 1/20 0.44
FBP1 P09467 1/20 0.42
CASP3 P42574 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
UBE2N P61088 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10351238 0.84 ALDH1A1 (0.51) ALDH1A1ALDH3A1RCE1MEN1MAPT
SCHEMBL12425708 0.84 ALDH1A1 (0.58) ALDH1A1ALDH3A1RCE1ALDH2MAOB
SCHEMBL10423124 0.83 ALDH1A1 (0.54) ALDH1A1ALDH3A1RCE1NFE2L2KDM4E
SCHEMBL10421306 0.82 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1MEN1MAPT
SCHEMBL23847348 0.82 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1MEN1MAPT
SCHEMBL10352312 0.82 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1MEN1MAPT
SCHEMBL12425706 0.82 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1MEN1KMT2A
SCHEMBL12426962 0.82 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1MEN1MAPT
SCHEMBL12426128 0.82 NR1H3 (0.56) ALDH1A1ALDH3A1RCE1KMT2AALDH2
SCHEMBL12426119 0.82 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1KDM4EMAPT

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 ALDH1A1 4049/4885ALDH3A1 3717/4885RCE1 173/4885

“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.