SCHEMBL6093777

SCHEMBL6093777

Cc1ccc(CNC(=O)c2nc(N3CCOCC3)n(C)c(=O)c2O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.43
EGLN1 Q9GZT9 4/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.41
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
POLB P06746 2/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FGB P02675 1/20 0.40
PABPC1 P11940 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL6096527 0.92 KCNE1 (0.43) MAPTKMT2AEGLN1MEN1LMNA
SCHEMBL6095011 0.92 MMP13 (0.44) MAPTEGLN1LMNAKCNE1CCR1
SCHEMBL6094568 0.89 LMNA (0.51) KMT2AEGLN1MEN1LMNAAADAT
SCHEMBL6093745 0.86 KCNE1 (0.52) MAPTKMT2AEGLN1MEN1LMNA
SCHEMBL6095148 0.86 PIK3CD (0.45) EGLN1LMNAKCNE1CCR1KCNQ1
SCHEMBL6094684 0.85 MMP13 (0.41) MAPTEGLN1KCNE1CCR1KCNQ1
SCHEMBL6017820 0.85 PIK3CD (0.41) MAPTKMT2AEGLN1ALDH1A1NPC1
SCHEMBL6093967 0.83 MMP13 (0.47) MAPTKMT2AMEN1LMNAKCNE1
SCHEMBL6094922 0.81 MMP13 (0.43) MAPTKMT2AMEN1LMNAKCNE1
SCHEMBL5309519 0.81 MAPK8 (0.42) MAPTLMNAKCNE1CCR1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO claimed
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 MAPT 3749/4885KMT2A 1080/4885EGLN1 2930/4885

“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.