Sugi Predict

Sugi Predict / Compounds / SCHEMBL5568264

SCHEMBL5568264

SCHEMBL5568264

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCNCC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ CACNA1B Q00975 3/20 0.37
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36

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
SCHEMBL5562891 0.90 ADRA1D (0.42) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL5564791 0.86 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL5569027 0.85 ADRA1D (0.40) ADRA1DADRA1AADRA1BMAPTKMT2A
SCHEMBL5563109 0.84 ADRA1D (0.40) ADRA1DADRA1AADRA1BMAPTLMNA
SCHEMBL5567409 0.84 ADRA1D (0.40) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL6524338 0.84 MAPT (0.38) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL5568267 0.84 HTT (0.39) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL5568481 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL5562710 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTTP53
SCHEMBL5563516 0.84 MAPT (0.41) ADRA1DADRA1AADRA1BMAPTTSHR

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 ADRA1D 170/4885ADRA1A 175/4885ADRA1B 191/4885

“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.