SCHEMBL6615669

SCHEMBL6615669

NC1=CC=CN(Cc2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
DHFR P00374 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
HPGD P15428 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6614940 0.79 HDAC8 (0.38) GSK3AGSK3BMGLLDHFRSIGMAR1
SCHEMBL9201461 0.76 SIGMAR1 (0.46) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL24938710 0.74 MGLL (0.45) GSK3AGSK3BMGLLSIGMAR1F2
Hydrochloric Acid SCHEMBL28835985 0.72 MGLL (0.43) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL24609402 0.71 CYP11B1 (0.40) GSK3AGSK3BMGLLSIGMAR1HTR2A
Hydrochloric Acid SCHEMBL30234811 0.71 MGLL (0.42) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL14437018 0.71 MGLL (0.42) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL21104726 0.69 SIGMAR1 (0.43) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL8672368 0.67 SIGMAR1 (0.41) GSK3AGSK3BMGLLSIGMAR1F2
SCHEMBL11258019 0.66 SRC (0.47) GSK3AGSK3BMGLLSIGMAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019385-B1 AMINOARYL OXAZOLIDINONE N-OXIDES UPJOHN CO (US) 2004-01-14 EP disclosed
US-6525193-B2 Bactericides PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-6518427-B1 Compounds are exceedingly water soluble which is useful in preparing pharmaceutical formulations of these compounds. They are also rapidly converted back to the parent amines in vivo, making them useful as prodrugs of the parent amines. PHARMACIA & UPJOHN COMPANY 2003-02-11 US disclosed
US-6515135-B2 Exceedingly water soluble; rapidly converted back to the parent amines in vivo, making them useful as prodrugs of the parent amines. PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
US-6512112-B2 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria PHARMACIA & UPJOHN COMPANY 2003-01-28 US disclosed
US-20020177707-A1 AMINOARYL OXAZOLIDINONE N-OXIDES GADWOOD ROBERT C (US) 2002-11-28 US disclosed
US-20020120152-A1 Aminoaryl oxazolidinone N-oxides GADWOOD ROBERT C (US) 2002-08-29 US disclosed
US-6441188-B1 SUCH AS (S)-N-((3-(3-FLUORO-4-(1,1-DIOXOTHIAZOLIDIN-3-YL) PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)ACETAMIDE N-OXIDE FOR TREATMENT OF MICROBIAL INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-08-27 US disclosed
US-20020107402-A1 Aminoaryl oxazolidinone N-oxides GADWOOD ROBERT C (US) 2002-08-08 US disclosed
US-20010051722-A1 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria GADWOOD ROBERT C (US) 2001-12-13 US disclosed
US-6277985-B1 AS ANTIBIOTICS; WATER SOLUBILITY; IN PRODRUGS PHARMACIA & UPJOHN COMPANY 2001-08-21 US disclosed
EP-1019385-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1997010223-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 1997-03-20 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 (4 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-20010051722-A1 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria AMD1, CYP11B1, ALDH7A1 GSK3A 2498/4885GSK3B 2377/4885MGLL 1960/4885
US-20020107402-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 GSK3A 1298/4885GSK3B 1225/4885MGLL 1904/4885
US-20020120152-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 GSK3A 1298/4885GSK3B 1225/4885MGLL 1904/4885
US-20020177707-A1 AMINOARYL OXAZOLIDINONE N-OXIDES CYP11B1, ABAT, MSMO1 GSK3A 1298/4885GSK3B 1225/4885MGLL 1904/4885

“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.