SCHEMBL3139356

SCHEMBL3139356

CC(CN1C(=O)c2ccccc2C1=O)=C1CCN(C(=O)O)CC1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL13349423 0.85 PDK4 (0.41) HSD17B10KMT2AMEN1ALDH1A1
SCHEMBL13315683 0.80 ALDH1A1 (0.42) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3556757 0.76 MAPK1 (0.40) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3556756 0.76 MAPK1 (0.40) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3560689 0.74 ALDH1A1 (0.46) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3560690 0.74 ALDH1A1 (0.46) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3560685 0.74 ALDH1A1 (0.46) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3132153 0.73 HSD17B10 (0.47) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3560372 0.73 HSD17B10 (0.47) HSD17B10CA12CA9KMT2AMEN1
SCHEMBL3564500 0.73 HSD17B10 (0.47) HSD17B10CA12CA9KMT2AMEN1

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO 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 (2 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 HSD17B10 3364/4885CA12 3691/4885CA9 2020/4885
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN HSD17B10 3364/4885CA12 3691/4885CA9 2020/4885

“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.