SCHEMBL6096527

SCHEMBL6096527

Cc1ccc(CNC(=O)c2nc(N3CCOCC3)n(C)c(=O)c2O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
PPARG P37231 2/20 0.42
MAPT P10636 2/20 0.42
EGLN1 Q9GZT9 4/20 0.41
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCD O00767 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FGB P02675 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL6095011 0.93 MMP13 (0.44) KCNE1CCR1KCNQ1PPARGMAPT
SCHEMBL6093777 0.92 MAPT (0.44) KCNE1CCR1KCNQ1PPARGMAPT
SCHEMBL6095148 0.89 PIK3CD (0.45) KCNE1CCR1KCNQ1PPARGEGLN1
SCHEMBL6093745 0.88 KCNE1 (0.52) KCNE1CCR1KCNQ1MAPTEGLN1
SCHEMBL6094684 0.86 MMP13 (0.41) KCNE1CCR1KCNQ1PPARGMAPT
SCHEMBL6094568 0.86 LMNA (0.51) EGLN1MEN1KMT2ALMNAAADAT
SCHEMBL6093967 0.84 MMP13 (0.47) KCNE1CCR1KCNQ1MAPTMEN1
SCHEMBL6094922 0.82 MMP13 (0.43) KCNE1CCR1KCNQ1MAPTMYC
SCHEMBL6094348 0.82 MMP13 (0.44) KCNE1CCR1KCNQ1EGLN1MYC
SCHEMBL6093733 0.82 SOS1 (0.47) KCNE1CCR1KCNQ1EGLN1KCNH2

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 KCNE1 3935/4885CCR1 660/4885KCNQ1 4594/4885

“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.