SCHEMBL7529520

SCHEMBL7529520

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(C)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.73
CACNA1C Q13936 9/20 0.70
CACNA1F O60840 8/20 0.70
CACNA1D Q01668 8/20 0.70
CACNA1S Q13698 8/20 0.70
ADORA3 P0DMS8 2/20 0.68
PDE1C Q14123 1/20 0.68
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2C19 P33261 4/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 3/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
NFKB1 P19838 2/20 0.66
THPO P40225 2/20 0.66
HIF1A Q16665 3/20 0.63

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
SCHEMBL7529529 1.00 CACNA1B (0.73) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10409943 0.90 CACNA1C (0.69) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10409941 0.90 CACNA1C (0.69) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7525294 0.90 CACNA1C (0.65) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10411083 0.89 ADORA3 (0.66) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10411081 0.89 ADORA3 (0.66) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10460693 0.89 CACNA1F (0.70) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL3065410 0.87 MEN1 (0.81) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL6725206 0.87 CACNA1F (0.80) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10748003 0.87 CACNA1F (0.77) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S

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-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CACNA1B 1/4885CACNA1C 3/4885CACNA1F 5/4885

“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.