SCHEMBL5478346

SCHEMBL5478346

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.72
ALDH1A1 P00352 11/20 0.72
HPGD P15428 9/20 0.72
GAA P10253 8/20 0.72
CASP1 P29466 6/20 0.63
CASP7 P55210 6/20 0.63
HSD17B10 Q99714 6/20 0.63
GLA P06280 3/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
AGTR1 P30556 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CACNA1B Q00975 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL5481006 0.94 KDM4E (0.72) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL3324895 0.93 KDM4E (0.68) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5332974 0.93 KDM4E (0.72) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5332854 0.91 KDM4E (0.62) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL3323801 0.91 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5311558 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5332893 0.88 ALDH1A1 (0.58) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5331606 0.87 KDM4E (0.68) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL3324425 0.86 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL5335777 0.86 KDM4E (0.60) KDM4EALDH1A1HPGDGAACASP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 KDM4E 4033/4885ALDH1A1 1488/4885HPGD 675/4885

“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.