SCHEMBL3124256

SCHEMBL3124256

O=C(O)N1CCCC(=CCN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
ACHE P22303 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL27679483 0.84 CA12 (0.45) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL30500962 0.83 MAPK1 (0.41) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL20660010 0.83 MAPK1 (0.41) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL20660009 0.83 MAPK1 (0.41) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL13797913 0.80 CASP3 (0.40) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL13797919 0.80 CASP3 (0.40) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3126790 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3135732 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3133513 0.74 CA12 (0.48) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3560372 0.73 HSD17B10 (0.47) ALDH1A1HSD17B10KMT2AGAAHPGD

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 2 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

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 ALDH1A1 1307/4885HSD17B10 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.