SCHEMBL3324702

SCHEMBL3324702

CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ALDH1A1 P00352 12/20 0.67
CASP1 P29466 6/20 0.67
CASP7 P55210 5/20 0.67
USP2 O75604 2/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 2/20 0.67
GAA P10253 7/20 0.65
HPGD P15428 6/20 0.65
HSD17B10 Q99714 6/20 0.65
RECQL P46063 1/20 0.65
GLA P06280 2/20 0.60
ALOX15 P16050 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 1/20 0.56
NOTCH1 P46531 3/20 0.54
MCL1 Q07820 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL3324833 0.89 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3324819 0.87 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3326234 0.85 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3323327 0.85 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3320306 0.84 NOTCH1 (0.72) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL1355090 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3321176 0.84 KDM4E (0.77) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3324778 0.83 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3324839 0.83 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1CASP1CASP7
SCHEMBL3326878 0.83 KDM4E (0.59) 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 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 1086/4885ALDH1A1 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.