SCHEMBL3320561

SCHEMBL3320561

CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
GAA P10253 7/20 0.61
ALDH1A1 P00352 10/20 0.61
HPGD P15428 6/20 0.61
CASP1 P29466 6/20 0.60
CASP7 P55210 5/20 0.60
USP2 O75604 2/20 0.60
PKM P14618 1/20 0.60
HSD17B10 Q99714 5/20 0.60
RECQL P46063 1/20 0.60
TSHR P16473 2/20 0.60
ALOX15 P16050 2/20 0.56
MCL1 Q07820 1/20 0.56
GLA P06280 2/20 0.56
RAB9A P51151 1/20 0.52
NOTCH1 P46531 3/20 0.51
RAD52 P43351 1/20 0.51
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL3329813 0.97 KDM4E (0.64) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3324819 0.91 KDM4E (0.65) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3326956 0.90 KDM4E (0.70) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3326465 0.87 KDM4E (0.69) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3324839 0.85 KDM4E (0.72) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3325079 0.85 KDM4E (0.64) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3323113 0.84 KDM4E (0.68) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3326234 0.84 KDM4E (0.79) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3329701 0.84 KDM4E (0.70) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL3328264 0.83 KDM4E (0.49) KDM4ESMN1; SMN2GAAALDH1A1HPGD

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 4115/4885SMN1; SMN2 1086/4885GAA 271/4885

“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.