SCHEMBL3323327

SCHEMBL3323327

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.79
ALDH1A1 P00352 14/20 0.79
GAA P10253 9/20 0.79
HPGD P15428 7/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
HSD17B10 Q99714 6/20 0.67
CASP1 P29466 5/20 0.67
GLA P06280 5/20 0.67
CASP7 P55210 4/20 0.67
RECQL P46063 1/20 0.67
USP2 O75604 1/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 3/20 0.67
NPSR1 Q6W5P4 2/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.58
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
PDGFRB P09619 1/20 0.56
KDR P35968 1/20 0.56

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
SCHEMBL20657021 0.93 KDM4E (0.77) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3323562 0.90 KDM4E (0.68) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3324778 0.90 KDM4E (0.79) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3326234 0.90 KDM4E (0.79) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3320306 0.88 NOTCH1 (0.72) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL13333236 0.88 KDM4E (0.71) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3322661 0.88 KDM4E (0.76) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3239096 0.87 KDM4E (0.75) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL12135791 0.86 KDM4E (0.73) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3324702 0.85 KDM4E (0.72) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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.