SCHEMBL5331606

SCHEMBL5331606

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.68
ALDH1A1 P00352 9/20 0.68
GAA P10253 7/20 0.68
HPGD P15428 7/20 0.68
GLA P06280 3/20 0.68
NPSR1 Q6W5P4 2/20 0.68
HTT P42858 1/20 0.68
CASP1 P29466 5/20 0.67
CASP7 P55210 5/20 0.67
HSD17B10 Q99714 5/20 0.67
MAPK1 P28482 2/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
AGTR1 P30556 1/20 0.54
TSHR P16473 3/20 0.51
USP2 O75604 1/20 0.51
RAB9A P51151 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
SCHEMBL3324895 0.94 KDM4E (0.68) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5481006 0.93 KDM4E (0.72) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5335777 0.89 KDM4E (0.60) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3324891 0.89 KDM4E (0.68) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5478346 0.87 KDM4E (0.72) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5311558 0.85 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5332974 0.85 KDM4E (0.72) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5332854 0.83 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5332893 0.83 ALDH1A1 (0.58) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5481084 0.82 KDM4E (0.60) KDM4EALDH1A1GAAHPGDGLA

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO 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 1488/4885GAA 3421/4885

“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.