SCHEMBL3325232

SCHEMBL3325232

CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OCCO)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.59
ALDH1A1 P00352 10/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 4/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CASP1 P29466 3/20 0.54
CASP7 P55210 3/20 0.54
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 3/20 0.53
BAP1 Q92560 1/20 0.53
BCHE P06276 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
SCHEMBL3322942 0.84 GAA (0.73) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3324995 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL3323765 0.83 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3320614 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3330293 0.82 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL23009264 0.82 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325350 0.81 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL5338108 0.80 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3324770 0.79 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3325258 0.79 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2GAAHTT

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 2615/4885SMN1; SMN2 1086/4885

“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.