SCHEMBL6220192

SCHEMBL6220192

CS(=O)(=O)CCCNc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.68
MAPT P10636 8/20 0.55
PKM P14618 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
VCAM1 P19320 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 2/20 0.44
PRSS1 P07477 1/20 0.43

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
SCHEMBL20571819 0.82 KAT2B (0.51) KAT2BMAPTPKMLMNAPOLB
SCHEMBL27655316 0.82 KAT2B (0.71) KAT2BMAPTPKMLMNAPOLB
SCHEMBL6218547 0.82 KAT2B (0.74) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL1204829 0.82 KAT2B (0.70) KAT2BMAPTPKMLMNAPOLB
SCHEMBL31069460 0.82 KAT2B (0.70) KAT2BMAPTPKMLMNAPOLB
SCHEMBL6215305 0.81 KAT2B (0.70) KAT2BMAPTPKMLMNAPOLB
SCHEMBL6216875 0.81 KAT2B (0.77) KAT2BMAPTPKMLMNAPOLB
SCHEMBL9979903 0.81 MAPT (0.54) KAT2BMAPTPKMLMNAPOLB
Hydrochloric Acid SCHEMBL514469 0.81 KAT2B (1.00) KAT2BMAPTPKMLMNAPOLB
SCHEMBL15685232 0.81 MAPT (0.75) KAT2BMAPTPKMLMNAPOLB

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 KAT2B 3405/4885MAPT 4825/4885PKM 2817/4885

“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.