SCHEMBL6499078

SCHEMBL6499078

CC(C)CCC(c1nc2cc(C(=N)NO)ccc2[nH]1)n1c(=O)n(CC(=O)O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
APEX1 P27695 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
FPR1 P21462 1/20 0.31
PRCP P42785 1/20 0.31

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
SCHEMBL6243680 0.90 APEX1 (0.37) APEX1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL6217633 0.89 KDM4E (0.36) HDAC6ALDH1A1MMP3MMP7AAK1
SCHEMBL6244771 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6498866 0.75 HCAR3 (0.33) MMP1MMP3MMP7
SCHEMBL6499070 0.74 BCHE (0.48)
SCHEMBL6500489 0.74 SCN10A (0.34) HDAC6ALDH1A1MMP1MMP3MMP7
SCHEMBL6500557 0.73 HCAR3 (0.38) MMP1MMP3MMP7
SCHEMBL6246043 0.72 SLC6A2 (0.40) SLC6A2SLC6A4KMT2AMEN1AAK1
SCHEMBL6492451 0.72 ALDH1A1 (0.38) ALDH1A1AAK1PRCP
SCHEMBL6241609 0.71 SLC6A2 (0.39) SLC6A2SLC6A4KMT2AALDH1A1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 HDAC6 479/4885APEX1 3951/4885SLC6A2 4457/4885

“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.