SCHEMBL4862020

SCHEMBL4862020

Cc1cccc(NCCC(N)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HTT P42858 1/20 0.65
SYK P43405 1/20 0.51
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL4864720 0.92 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27823612 0.85 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3199664 0.85 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL966007 0.83 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4864708 0.82 THRB (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27823621 0.82 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9468482 0.82 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11121780 0.82 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3992098 0.81 DDX3X (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11765909 0.81 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 7 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
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
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP 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 MAPT 4756/4885CYP1A2 518/4885CYP3A4 156/4885
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 MAPT 4694/4885CYP1A2 628/4885CYP3A4 212/4885

“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.