SCHEMBL3324770

SCHEMBL3324770

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.65
ALDH1A1 P00352 10/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
BCHE P06276 1/20 0.62
HSD17B10 Q99714 6/20 0.55
HPGD P15428 5/20 0.55
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
APAF1 O14727 1/20 0.53
IDE P14735 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
BAP1 Q92560 1/20 0.50

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
SCHEMBL3325350 0.94 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325283 0.87 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3320549 0.84 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3322942 0.84 GAA (0.73) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325258 0.83 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325278 0.82 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3323765 0.82 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325592 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2GAABCHE
SCHEMBL3322939 0.81 GAA (0.68) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325232 0.79 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2GAAHTT

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 2615/4885SMN1; SMN2 1086/4885

“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.