SCHEMBL3133513

SCHEMBL3133513

O=C(O)N1CCCC(=C(F)CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 4/20 0.45
ACHE P22303 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL13797927 0.86 HSD17B10 (0.43) CA12CA9KMT2AGAAMEN1
SCHEMBL3560372 0.86 HSD17B10 (0.47) CA12CA9KMT2AGAAMEN1
SCHEMBL3139368 0.86 CA12 (0.47) CA12CA9KMT2AGAAMEN1
SCHEMBL3564500 0.86 HSD17B10 (0.47) CA12CA9KMT2AGAAMEN1
SCHEMBL3132153 0.86 HSD17B10 (0.47) CA12CA9KMT2AGAAMEN1
SCHEMBL3135746 0.83 CA12 (0.43) CA12CA9KMT2AGAAMEN1
SCHEMBL3135749 0.83 CA12 (0.43) CA12CA9KMT2AGAAMEN1
SCHEMBL3135738 0.83 CA12 (0.43) CA12CA9KMT2AGAAMEN1
SCHEMBL4781650 0.83 HSD17B10 (0.42) KMT2AGAAMEN1HSD17B10ALDH1A1
SCHEMBL4781657 0.83 HSD17B10 (0.42) KMT2AGAAMEN1HSD17B10ALDH1A1

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
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
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
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 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 CA12 3691/4885CA9 2020/4885KMT2A 1827/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 CA12 3602/4885CA9 1820/4885KMT2A 1652/4885

“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.