SCHEMBL5563519

SCHEMBL5563519

CC1=NN(c2ccc(C(=O)N(C)CCCN3C(=O)NC(C)=C(C(=O)O)C3c3cccc(Cl)c3)cc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
HTT P42858 2/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
POLB P06746 3/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
APP P05067 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5562887 0.85 HTT (0.43) MAPTHTTACHEADRA1DADRA1A
SCHEMBL5563516 0.85 MAPT (0.41) MAPTKDM4EKMT2AGAAHTT
SCHEMBL5568267 0.83 HTT (0.39) MAPTHTTACHELMNAADRA1D
SCHEMBL5567175 0.83 HTT (0.40) MAPTHTTACHEADRA1DADRA1A
SCHEMBL5564795 0.83 HTT (0.41) HTTACHEADRA1DADRA1AADRA1B
SCHEMBL5563145 0.82 CACNA1B (0.43) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL5568028 0.82 HTT (0.40) KMT2AHTTACHEMEN1ADRA1D
SCHEMBL5569023 0.82 HTT (0.42) HTTACHEADRA1DADRA1AADRA1B
SCHEMBL5567411 0.82 HTT (0.40) HTTACHELMNAADRA1DADRA1A
SCHEMBL5563112 0.82 CACNA1F (0.40) MAPTKDM4EKMT2AHTTACHE

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 MAPT 1236/4885KDM4E 1519/4885KMT2A 3315/4885

“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.