SCHEMBL5311558

SCHEMBL5311558

CC1=C(C(=O)OCc2ccccc2)C(c2cccnc2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
KDM4E B2RXH2 10/20 0.61
GAA P10253 9/20 0.61
HPGD P15428 7/20 0.61
HSD17B10 Q99714 6/20 0.61
CASP1 P29466 4/20 0.61
CASP7 P55210 4/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
GLA P06280 4/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

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 0.92 KDM4E (0.72) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5332854 0.91 KDM4E (0.62) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5332974 0.89 KDM4E (0.72) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5478346 0.89 KDM4E (0.72) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5332893 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL3325381 0.86 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5311773 0.85 PDE1C (0.52) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5331931 0.85 KDM4E (0.72) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL3320706 0.85 POLB (0.54) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5331606 0.85 KDM4E (0.68) ALDH1A1KDM4EGAAHPGDHSD17B10

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 4033/4885GAA 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.