SCHEMBL3556757

SCHEMBL3556757

O=C(O)N1CC/C(=C/CN2C(=O)c3ccccc3C2=O)C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 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
SCHEMBL3556756 1.00 MAPK1 (0.40) MAPK1CA12CA9KMT2ASMN1; SMN2
SCHEMBL3559325 0.86 MAPK1 (0.40) MAPK1CA12CA9KMT2ASMN1; SMN2
SCHEMBL13349422 0.84 PDK4 (0.41) HSD17B10
SCHEMBL27679483 0.80 CA12 (0.45) CA12CA9KMT2ASMN1; SMN2GAA
SCHEMBL13315681 0.80 HSD17B10 (0.35) CA12CA9KMT2AHSD17B10ALDH1A1
SCHEMBL3139356 0.76 HSD17B10 (0.46) MAPK1CA12CA9KMT2ASMN1; SMN2
SCHEMBL3559446 0.74 CASP3 (0.38) MAPK1CA12CA9ALDH1A1
SCHEMBL3559442 0.74 CASP3 (0.38) MAPK1CA12CA9ALDH1A1
SCHEMBL3559448 0.74 CASP3 (0.38) MAPK1CA12CA9ALDH1A1
SCHEMBL3124256 0.73 ALDH1A1 (0.45) MAPK1CA12CA9KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1675852-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 EP disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 US disclosed
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones GRANT EUGENE B III (US) 2005-05-12 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 (3 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN MAPK1 2562/4885CA12 3691/4885CA9 2020/4885
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN MAPK1 2562/4885CA12 3691/4885CA9 2020/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 MAPK1 2916/4885CA12 3602/4885CA9 1820/4885

“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.