SCHEMBL3320322

SCHEMBL3320322

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
HSD17B10 Q99714 6/20 0.64
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 10/20 0.59
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.56
CASP1 P29466 3/20 0.55
CASP7 P55210 3/20 0.55
HPGD P15428 3/20 0.55
BAP1 Q92560 1/20 0.55
MAPK1 P28482 1/20 0.52
ALOX15 P16050 1/20 0.50
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
SCHEMBL3326469 0.91 KDM4E (0.62) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3323087 0.87 ALDH1A1 (0.62) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3324750 0.84 SMN1; SMN2 (0.64) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3325180 0.80 KDM4E (0.62) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3325682 0.80 ALDH1A1 (0.65) KDM4EHSD17B10ALDH1A1GAASMN1; SMN2
SCHEMBL3325251 0.80 ALDH1A1 (0.70) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL13333270 0.80 ALDH1A1 (0.70) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3329829 0.79 ALDH1A1 (0.63) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3320699 0.79 ALDH1A1 (0.78) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3327667 0.78 KDM4E (0.61) KDM4EHSD17B10TP53POLBALDH1A1

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 4115/4885HSD17B10 1530/4885TP53 552/4885

“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.