SCHEMBL6095162

SCHEMBL6095162

CC(NC(=O)c1nc(N2CCCCS2(O)O)n(C)c(=O)c1O)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
PDE2A O00408 1/20 0.35
PHGDH O43175 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MCHR1 Q99705 2/20 0.33
THRB P10828 1/20 0.33
PRCP P42785 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL6093763 0.92 L3MBTL1 (0.37) SMN1; SMN2POLBALDH1A1HTTPDE2A
SCHEMBL6095159 0.91 PHGDH (0.42) SMN1; SMN2POLBALDH1A1LMNAHSP90AA1
SCHEMBL6094125 0.91 ALDH1A1 (0.40) SMN1; SMN2POLBALDH1A1GAAHTT
SCHEMBL6095582 0.91 MAOA (0.43) POLBALDH1A1LMNAKMT2AHTT
SCHEMBL6095305 0.91 ALDH1A1 (0.45) SMN1; SMN2POLBALDH1A1LMNAKMT2A
SCHEMBL6095839 0.91 ALDH1A1 (0.45) SMN1; SMN2POLBALDH1A1LMNAKMT2A
SCHEMBL6094437 0.89 CLK1 (0.39) KMT2APDE2APHGDHTP53MAPT
SCHEMBL6094063 0.86 MEN1 (0.42) POLBALDH1A1KMT2AHTTPDE2A
SCHEMBL6096240 0.83 POLB (0.42) POLBMAPT
SCHEMBL6093749 0.82 PHGDH (0.43) POLBALDH1A1HTTPHGDHL3MBTL1

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 4 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
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 SMN1; SMN2 3629/4885POLB 23/4885ALDH1A1 483/4885

“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.