SCHEMBL3326465

SCHEMBL3326465

CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 13/20 0.65
CASP1 P29466 6/20 0.65
CASP7 P55210 5/20 0.65
USP2 O75604 2/20 0.65
PKM P14618 1/20 0.65
GAA P10253 8/20 0.65
HSD17B10 Q99714 6/20 0.65
RECQL P46063 1/20 0.65
TSHR P16473 3/20 0.64
HPGD P15428 8/20 0.62
GLA P06280 3/20 0.57
RAB9A P51151 1/20 0.56
ALOX15 P16050 1/20 0.53
MCL1 Q07820 1/20 0.53
ABCC1 P33527 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
NOTCH1 P46531 1/20 0.51

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
SCHEMBL3326956 0.97 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3326234 0.93 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3324839 0.92 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3329813 0.90 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3323113 0.90 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL19676551 0.89 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3329701 0.89 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3329655 0.88 CCNA2 (0.67) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3320561 0.87 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3329810 0.85 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7

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 2 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

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 1086/4885ALDH1A1 2615/4885

“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.