SCHEMBL3320573

SCHEMBL3320573

COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
TSHR P16473 4/20 0.52
CASP1 P29466 3/20 0.52
HSD17B10 Q99714 3/20 0.52
POLB P06746 3/20 0.52
USP2 O75604 2/20 0.52
CASP7 P55210 2/20 0.52
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
GLA P06280 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 1/20 0.47
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL3325156 0.89 KDM4E (0.55) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL3329941 0.88 KDM4E (0.56) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL3329613 0.88 ALDH1A1 (0.51) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL30938410 0.88 KDM4E (0.52) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL30938447 0.88 KDM4E (0.52) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL5334892 0.88 KDM4E (0.52) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL3328262 0.86 ALDH1A1 (0.48) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL3328264 0.86 KDM4E (0.49) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL3322491 0.85 KDM4E (0.73) KDM4ETSHRCASP1HSD17B10POLB
SCHEMBL29739289 0.84 ADORA3 (0.53) KDM4ETSHRCASP1HSD17B10POLB

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 4115/4885TSHR 4847/4885CASP1 2392/4885

“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.