SCHEMBL3323322

SCHEMBL3323322

COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.59
HSD17B10 Q99714 10/20 0.59
CASP1 P29466 5/20 0.59
ALDH1A1 P00352 11/20 0.58
HPGD P15428 7/20 0.58
CASP7 P55210 3/20 0.58
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 1/20 0.54
TP53 P04637 2/20 0.52
BAP1 Q92560 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.51
FFAR3 O14843 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
GALR3 O60755 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL7101463 0.82 ABCC9 (0.64) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL7887451 0.81 NR1I2 (0.55) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL3329695 0.78 ALDH1A1 (0.79) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL3323863 0.78 KDM4E (0.84) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL2851422 0.78 HSD17B10 (0.62) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL2851420 0.78 HSD17B10 (0.62) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL3329684 0.77 HSD17B10 (0.69) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL3325157 0.76 KDM4E (0.70) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL2845689 0.76 HSD17B10 (0.67) KDM4EHSD17B10CASP1ALDH1A1HPGD
SCHEMBL2845686 0.76 HSD17B10 (0.67) KDM4EHSD17B10CASP1ALDH1A1HPGD

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 1530/4885CASP1 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.