SCHEMBL3320895

SCHEMBL3320895

COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.81
HPGD P15428 12/20 0.81
GAA P10253 12/20 0.81
ALDH1A1 P00352 11/20 0.81
CASP1 P29466 8/20 0.81
CASP7 P55210 8/20 0.81
HSD17B10 Q99714 8/20 0.81
GLA P06280 5/20 0.81
SMN1; SMN2 Q16637 1/20 0.67
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
NOTCH1 P46531 1/20 0.58
MAPT P10636 2/20 0.57
TSHR P16473 3/20 0.56
HTT P42858 1/20 0.54
KLK7 P49862 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6028869 0.90 KDM4E (0.88) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL3320682 0.89 KDM4E (1.00) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL12135791 0.87 KDM4E (0.73) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL12135877 0.83 KDM4E (0.73) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL6028738 0.82 KDM4E (0.62) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL5332893 0.82 ALDH1A1 (0.58) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL1357783 0.82 KDM4E (0.66) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL1356628 0.82 NOTCH1 (0.76) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL5197513 0.81 KDM4E (0.63) KDM4EHPGDGAAALDH1A1CASP1
SCHEMBL3329623 0.81 KDM4E (0.68) KDM4EHPGDGAAALDH1A1CASP1

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
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
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 4115/4885HPGD 265/4885GAA 271/4885

“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.