SCHEMBL2536459

SCHEMBL2536459

CCOC(=O)C=Cc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.54
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.48
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45

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
SCHEMBL2536457 1.00 STAT3 (0.54) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL1013072 0.88 STAT3 (0.53) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL1013073 0.88 STAT3 (0.53) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL4876750 0.87 STAT3 (0.52) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL4956349 0.87 STAT3 (0.52) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL24358978 0.87 STAT3 (0.52) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL4876757 0.87 STAT3 (0.52) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL4956345 0.87 STAT3 (0.52) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL7204425 0.86 PTGS2 (0.50) STAT3LMNAALDH1A1RAB9AMAPT
SCHEMBL7204421 0.86 PTGS2 (0.50) STAT3LMNAALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-7449463-B2 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-11-11 US disclosed
EP-1697345-B1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2008-03-12 EP disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent JANSSEN SCIENCES IRELAND UC (IE) 2007-02-22 US disclosed
EP-1697343-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION Tibotec Pharmaceuticals Ltd. (IE) 2006-09-06 EP disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 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 (3 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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 STAT3 750/4885LMNA 1485/4885ALDH1A1 3486/4885
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 STAT3 1131/4885LMNA 1566/4885ALDH1A1 1319/4885
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3 STAT3 1083/4885LMNA 1228/4885ALDH1A1 3915/4885

“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.