SCHEMBL3320306

SCHEMBL3320306

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 7/20 0.72
KDM4E B2RXH2 13/20 0.71
ALDH1A1 P00352 9/20 0.71
GAA P10253 7/20 0.71
HPGD P15428 5/20 0.71
SMN1; SMN2 Q16637 1/20 0.68
CASP1 P29466 6/20 0.61
CASP7 P55210 5/20 0.61
HSD17B10 Q99714 5/20 0.61
GLA P06280 2/20 0.61
USP2 O75604 2/20 0.59
PKM P14618 1/20 0.59
RECQL P46063 1/20 0.58
TSHR P16473 1/20 0.58
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL13333236 0.89 KDM4E (0.71) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3323327 0.88 KDM4E (0.79) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL1356628 0.88 NOTCH1 (0.76) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3325190 0.85 KDM4E (0.68) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL5199140 0.84 NOTCH1 (0.71) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3324702 0.84 KDM4E (0.72) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3325079 0.84 KDM4E (0.64) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3326234 0.83 KDM4E (0.79) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL3324778 0.83 KDM4E (0.79) NOTCH1KDM4EALDH1A1GAAHPGD
SCHEMBL12135782 0.83 KDM4E (0.72) NOTCH1KDM4EALDH1A1GAAHPGD

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 NOTCH1 178/4885KDM4E 4115/4885ALDH1A1 2615/4885

“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.