SCHEMBL3323937

SCHEMBL3323937

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.65
HSD17B10 Q99714 7/20 0.65
CASP1 P29466 5/20 0.65
CASP7 P55210 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
ALOX15 P16050 2/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 9/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
THRB P10828 1/20 0.61
HPGD P15428 5/20 0.58
RECQL P46063 2/20 0.54
POLB P06746 2/20 0.54
F2 P00734 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RCE1 Q9Y256 1/20 0.53
GAA P10253 7/20 0.53
GLA P06280 2/20 0.52

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
SCHEMBL3323526 0.93 KDM4E (0.65) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3324497 0.90 KDM4E (0.63) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3329970 0.88 KDM4E (0.59) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3320375 0.87 KDM4E (0.64) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL13333204 0.84 KDM4E (0.65) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3325600 0.79 KDM4E (0.82) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL15536537 0.78 KDM4E (0.74) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3325353 0.76 KDM4E (0.58) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL3325626 0.76 KDM4E (0.83) KDM4EHSD17B10CASP1CASP7NPSR1
SCHEMBL12135787 0.75 KDM4E (0.65) KDM4EHSD17B10CASP1CASP7NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 KDM4E 4115/4885HSD17B10 1530/4885CASP1 2392/4885

“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.