SCHEMBL457444

SCHEMBL457444

OC[CH]CNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DPP7 Q9UHL4 1/20 0.50
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27877532 0.84 MEN1 (0.48) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL1846266 0.83 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL2242696 0.83 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL4065565 0.81 MEN1 (0.54) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL27901556 0.80 MEN1 (0.59) MEN1KMT2ATDP1ADH1BADH1C
SCHEMBL15607673 0.80 MEN1 (0.64) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL27531045 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL27625443 0.78 MEN1 (0.56) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL3230816 0.76 MEN1 (0.48) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL3130447 0.76 MEN1 (0.58) MEN1KMT2ATDP1DPP7ADH1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT MEN1 2458/4885KMT2A 1071/4885TDP1 3889/4885

“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.