SCHEMBL13355695

SCHEMBL13355695

CC(C)(C)OC(=O)N1CCC(=C(F)CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL3808236 0.86 PDK4 (0.42) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL3808231 0.86 PDK4 (0.42) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL3808232 0.86 PDK4 (0.42) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL13349421 0.81 PDK4 (0.46) KMT2AALDH1A1GAASMN1; SMN2PDK4
SCHEMBL13315656 0.80 PDK4 (0.43) KMT2AALDH1A1HPGDGAASMN1; SMN2
SCHEMBL13315739 0.80 BRD4 (0.41) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL578012 0.80 KMT2A (0.57) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL29659287 0.80 KMT2A (0.57) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL3138673 0.78 ALDH1A1 (0.44) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL3555453 0.78 CHRM2 (0.43) KMT2AALDH1A1GAASMN1; SMN2PDK4

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 KMT2A 1652/4885ALDH1A1 1307/4885HSD17B10 3088/4885

“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.