SCHEMBL4861773

SCHEMBL4861773

Cc1ccc(C=CC(N)=O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
HTT P42858 1/20 0.45
BACE1 P56817 2/20 0.43
KCNMA1 Q12791 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4861768 1.00 PTGS2 (0.52) PTGS2ALDH1A1RAB9AMAPTATM
SCHEMBL3017265 0.86 MAPT (0.62) PTGS2ALDH1A1RAB9AMAPTATM
SCHEMBL4862490 0.86 PTGS2 (0.54) PTGS2ALDH1A1RAB9AMAPTATM
SCHEMBL3017268 0.86 MAPT (0.62) PTGS2ALDH1A1RAB9AMAPTATM
SCHEMBL4862498 0.86 PTGS2 (0.54) PTGS2ALDH1A1RAB9AMAPTATM
SCHEMBL8153352 0.83 TDP1 (0.50) PTGS2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL9657746 0.83 BACE1 (0.57) PTGS2MAPTLMNABACE1MAOB
SCHEMBL9657741 0.83 BACE1 (0.57) PTGS2MAPTLMNABACE1MAOB
SCHEMBL8153356 0.83 TDP1 (0.50) PTGS2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7204425 0.82 PTGS2 (0.50) PTGS2ALDH1A1RAB9AMAPTATM

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
CN-101412709-B Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD 2015-03-25 CN disclosed
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
CN-101412709-A Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2009-04-22 CN 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-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
CN-1894237-A Morpholinyl-containing benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARM LTD (IE) 2007-01-10 CN disclosed
EP-1697345-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION Tibotec Pharmaceuticals Ltd. (IE) 2006-09-06 EP disclosed
WO-2005058871-A1 MORPHOLINYL CONTAINING 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 (2 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 PTGS2 2149/4885ALDH1A1 3486/4885RAB9A 410/4885
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 PTGS2 2000/4885ALDH1A1 3915/4885RAB9A 918/4885

“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.