SCHEMBL3324672

SCHEMBL3324672

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.63
ALDH1A1 P00352 11/20 0.63
GAA P10253 9/20 0.63
HSD17B10 Q99714 8/20 0.63
HPGD P15428 8/20 0.63
CASP1 P29466 7/20 0.63
CASP7 P55210 6/20 0.63
GLA P06280 3/20 0.63
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 4/20 0.60
MAPK1 P28482 2/20 0.59
ALOX15 P16050 2/20 0.55
USP2 O75604 2/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.52
PKM P14618 1/20 0.52
TP53 P04637 1/20 0.50
NOTCH1 P46531 2/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL5815747 0.88 NPSR1 (0.67) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL23008930 0.88 KDM4E (0.57) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3323951 0.87 KDM4E (0.70) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3328880 0.85 KDM4E (0.65) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL5810346 0.85 HTR1A (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL12135787 0.84 KDM4E (0.65) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL8186663 0.83 GSK3B (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL17194877 0.82 KDM4E (0.63) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3016247 0.81 MAPK1 (0.70) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL13333236 0.80 KDM4E (0.71) KDM4EALDH1A1GAAHSD17B10HPGD

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
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
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 4115/4885ALDH1A1 2615/4885GAA 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.