SCHEMBL5334201

SCHEMBL5334201

COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccccc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 6/20 0.54
USP2 O75604 3/20 0.54
CASP1 P29466 3/20 0.54
CASP7 P55210 3/20 0.54
HSD17B10 Q99714 3/20 0.54
GLA P06280 3/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
NR1I2 O75469 1/20 0.48
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 5/20 0.45
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL5330819 0.93 KDM4E (0.57) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL5310139 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL5337018 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL3324948 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL5331923 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL13096492 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL3329941 0.84 KDM4E (0.56) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL9925963 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL5334064 0.84 KDM4E (0.58) ALDH1A1KDM4EHPGDUSP2CASP1
SCHEMBL3323108 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDUSP2CASP1

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 ALDH1A1 1488/4885KDM4E 4033/4885HPGD 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.