SCHEMBL3326469

SCHEMBL3326469

COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(Br)c(O)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.62
ALDH1A1 P00352 12/20 0.62
HSD17B10 Q99714 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
CASP1 P29466 5/20 0.60
CASP7 P55210 4/20 0.60
GAA P10253 3/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 4/20 0.54
BAP1 Q92560 1/20 0.54
USP2 O75604 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 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
SCHEMBL3320322 0.91 KDM4E (0.64) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3323087 0.90 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3324750 0.87 SMN1; SMN2 (0.64) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3325152 0.84 KDM4E (0.76) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3325682 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3329829 0.82 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3329187 0.81 KDM4E (0.80) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3329777 0.80 ALDH1A1 (0.78) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL12932108 0.80 KDM4E (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3323765 0.79 KDM4E (0.73) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPK1

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 2615/4885HSD17B10 1530/4885

“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.