SCHEMBL6614940

SCHEMBL6614940

OC1=CC=CN(Cc2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MGLL Q99685 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SRC P12931 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
GRM6 O15303 1/20 0.34
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6615669 0.79 GSK3A (0.36) HDAC8HDAC6MGLLGSK3AGSK3B
SCHEMBL9201461 0.76 SIGMAR1 (0.46) MGLLGSK3AGSK3BSIGMAR1F2
SCHEMBL24609402 0.74 CYP11B1 (0.40) MGLLGSK3AGSK3BSIGMAR1MEN1
SCHEMBL24938710 0.74 MGLL (0.45) HDAC8HDAC6MGLLGSK3AGSK3B
SCHEMBL11258019 0.73 SRC (0.47) HDAC8HDAC6MGLLGSK3AGSK3B
Hydrochloric Acid SCHEMBL28835985 0.72 MGLL (0.43) HDAC8HDAC6MGLLGSK3AGSK3B
SCHEMBL14437018 0.71 MGLL (0.42) HDAC8HDAC6MGLLGSK3AGSK3B
Hydrochloric Acid SCHEMBL30234811 0.71 MGLL (0.42) MGLLGSK3AGSK3BSIGMAR1F2
SCHEMBL8672368 0.67 SIGMAR1 (0.41) MGLLGSK3AGSK3BSIGMAR1F2
SCHEMBL30445901 0.66 CYP19A1 (0.38) MGLLGSK3AGSK3BSIGMAR1F2

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 HDAC8 2021/4885HDAC6 2308/4885MGLL 1960/4885
US-20020107402-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 HDAC8 2502/4885HDAC6 2304/4885MGLL 1904/4885
US-20020120152-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 HDAC8 2502/4885HDAC6 2304/4885MGLL 1904/4885
US-20020177707-A1 AMINOARYL OXAZOLIDINONE N-OXIDES CYP11B1, ABAT, MSMO1 HDAC8 2502/4885HDAC6 2304/4885MGLL 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.