Sugi Predict

Sugi Predict / Compounds / SCHEMBL5567747

SCHEMBL5567747

SCHEMBL5567747

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)N(CCCNCC(=O)Cc2ccc(F)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.46
▸ CACNA1F O60840 7/20 0.43
▸ CACNA1D Q01668 7/20 0.43
▸ CACNA1S Q13698 7/20 0.43
▸ CACNA1C Q13936 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL5563148 0.92 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563139 0.91 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567038 0.89 CACNA1H (0.47) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5569439 0.87 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5562853 0.85 CACNA1H (0.45) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5562846 0.85 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563911 0.84 CACNA1H (0.47) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567929 0.84 CACNA1H (0.51) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568263 0.84 CACNA1H (0.49) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563451 0.84 CACNA1H (0.48) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — US claimed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 — — US claimed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 — — WO claimed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 — — US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 — — 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S CACNA1H 10/4885CACNA1F 6/4885CACNA1D 4/4885

“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.