SCHEMBL667046

SCHEMBL667046

Cc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL712432 0.77 ALDH1A1 (0.34)
SCHEMBL20128349 0.75 MAPK14 (0.31)
SCHEMBL8914541 0.75
SCHEMBL931102 0.75
SCHEMBL8802293 0.75 CYP3A4 (0.40)
SCHEMBL2722030 0.75 CCR5 (0.32) CCR5
SCHEMBL10714896 0.72 BCHE (0.30)
SCHEMBL2158372 0.72
SCHEMBL10073293 0.72 CCR5 (0.31) CCR5
SCHEMBL10222483 0.72

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928135-A A kind of continuous preparation method of N- pyridine-N-oxides 中触媒新材料股份有限公司 2017-07-07 CN claimed
CN-106928135-B A kind of continuous preparation method of N- pyridine-N-oxide 中触媒新材料股份有限公司 2019-06-21 CN disclosed
CN-106928135-A A kind of continuous preparation method of N- pyridine-N-oxides 中触媒新材料股份有限公司 2017-07-07 CN disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2016-02-11 US disclosed
US-9255273-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-02-09 US disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-5292885-A Pyranone, process for its preparation, its use in the preparation of a new pyridinone and a process for the preparation of same ISOCHEM (FR) 1994-03-08 US disclosed
CN-1018923-B Process for preparing pyridine derivatives having antiulcer activity EISAI CO LTD (JP) 1992-11-04 CN disclosed
US-4766133-A ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1988-08-23 US disclosed
CN-87107777-A Pyridine derivate with antiulcer activity 1988-06-01 CN disclosed
CN-85103357-A The method for making of tricyclic imidazole derivatives and acid salt thereof 1986-11-12 CN 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-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CCR5 9/4885NOS3 4006/4885NOS2 3929/4885
US-20160039750-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 CCR5 1271/4885NOS3 3493/4885NOS2 2847/4885

“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.