SCHEMBL6220073

SCHEMBL6220073

N#Cc1ccc(NCCCCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 3/20 0.71
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ PRSS1 P07477 4/20 0.53
▸ GSTM2 P28161 1/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ HCAR3 P49019 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ VCAM1 P19320 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6214461 0.99 KAT2B (0.73) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL6218547 0.95 KAT2B (0.74) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL112161 0.89 KAT2B (0.70) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL29519350 0.89 KAT2B (0.70) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL8246358 0.88 KAT2B (0.58) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL27655316 0.87 KAT2B (0.71) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL6216875 0.86 KAT2B (0.77) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL17743370 0.85 KAT2B (0.68) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL29519405 0.84 KAT2B (0.73) KAT2BMAPTLMNAPKMPRSS1
Hydrochloric Acid SCHEMBL514469 0.83 KAT2B (1.00) KAT2BMAPTLMNAPKMPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016073652-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES UNITHER VIROLOGY, LLC (US) 2016-05-12 — — WO disclosed
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 4825/4885LMNA 2721/4885

“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.

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