SCHEMBL6094063

SCHEMBL6094063

CC(NC(=O)c1nc(N2CCCCS2(O)O)n(C)c(=O)c1O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE2A O00408 2/20 0.41
MMP9 P14780 1/20 0.39
HPGDS O60760 2/20 0.38
CNR2 P34972 1/20 0.38
PHGDH O43175 4/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6094058 0.91 PHGDH (0.44) MEN1KMT2APDE2AMMP9HPGDS
SCHEMBL6095305 0.90 ALDH1A1 (0.45) MEN1KMT2APHGDHALDH1A1POLB
SCHEMBL6095839 0.90 ALDH1A1 (0.45) MEN1KMT2APHGDHALDH1A1POLB
SCHEMBL6093763 0.87 L3MBTL1 (0.37) PDE2APHGDHALDH1A1POLBHTT
SCHEMBL6096240 0.87 POLB (0.42) POLB
SCHEMBL6094437 0.87 CLK1 (0.39) MEN1KMT2APDE2ACNR2PHGDH
SCHEMBL6095162 0.86 SMN1; SMN2 (0.38) KMT2APDE2APHGDHALDH1A1POLB
SCHEMBL6095582 0.86 MAOA (0.43) MEN1KMT2APDE2ACNR2PHGDH
SCHEMBL6094125 0.86 ALDH1A1 (0.40) PDE2APHGDHALDH1A1POLBHTT
SCHEMBL6094060 0.85 PDE2A (0.40) MEN1KMT2APDE2ACNR2ALDH1A1

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 MEN1 4267/4885KMT2A 1080/4885PDE2A 1238/4885

“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.