SCHEMBL6217633

SCHEMBL6217633

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP10 P09238 2/20 0.32
MMP12 P39900 2/20 0.32
MAOA P21397 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL6244771 0.91 ALDH1A1 (0.37) KDM4EALDH1A1MAOAL3MBTL1
SCHEMBL6499078 0.89 HDAC6 (0.36) ALDH1A1HDAC6MMP3MMP7AAK1
SCHEMBL6492451 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAOAAAK1
SCHEMBL6243680 0.80 APEX1 (0.37) ALDH1A1
SCHEMBL6337953 0.76 BCHE (0.42) KDM4EALDH1A1
SCHEMBL6500489 0.70 SCN10A (0.34) ALDH1A1HDAC6MMP3MMP7AAK1
SCHEMBL6500557 0.70 HCAR3 (0.38) MMP3MMP7
SCHEMBL6498866 0.69 HCAR3 (0.33) MMP3MMP7
SCHEMBL6246043 0.69 SLC6A2 (0.40) KDM4EAAK1
SCHEMBL6247442 0.68 SCN10A (0.41) KDM4E

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-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 KDM4E 335/4885ALDH1A1 3132/4885HDAC6 479/4885

“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.