SCHEMBL13355682

SCHEMBL13355682

CC(C)(C)OC(=O)N1CCC/C(=C(/Cl)CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
DTYMK P23919 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL13349268 0.92 HSD17B10 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL13349273 0.92 HSD17B10 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL3808236 0.87 PDK4 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL3808231 0.87 PDK4 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL3808232 0.87 PDK4 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL13355687 0.83 AVPR1A (0.39) PDK4KMT2AMEN1DTYMKCHRM2
SCHEMBL13349421 0.83 PDK4 (0.46) PDK4KMT2AMEN1DTYMKCHRM2
SCHEMBL3124297 0.83 CA12 (0.47) HSD17B10KMT2AMEN1ALDH1A1GAA
SCHEMBL13315635 0.82 HSD17B10 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK
SCHEMBL4781657 0.82 HSD17B10 (0.42) PDK4HSD17B10KMT2AMEN1DTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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 (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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 PDK4 2423/4885HSD17B10 3088/4885KMT2A 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.