SCHEMBL4248313

SCHEMBL4248313

CC1NC(c2ccccc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRNA7 P36544 1/20 0.34
SLC6A3 Q01959 2/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 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
SCHEMBL9055480 0.83 MAPT (0.46) MEN1KMT2AALDH1A1CYP2D6
SCHEMBL5803864 0.78 CA2 (0.40) CA2SMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL24311920 0.78 SMN1; SMN2 (0.43) CA2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11384694 0.75 KDM4E (0.36) CA2SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL14587066 0.75 CACNA1G (0.44) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4287696 0.74 KMT2A (0.39) CA2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL14601299 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNA7TSHR
SCHEMBL1315164 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNA7TSHR
SCHEMBL11951038 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNA7TSHR
SCHEMBL1315523 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNA7TSHR

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
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES INC (US) 2015-09-17 US disclosed
US-9045440-B2 Desazadesferrothiocin and desazadesferrothiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2015-06-02 US disclosed
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FerroKin BioScience, Inc. (US) 2013-02-28 US disclosed
WO-2011140232-A2 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC (US) 2011-11-10 WO disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US disclosed
EP-2034994-A2 NF-KAPPA B INHIBITORS AND USES THEREOF The Board Of Trustees Operating Michigan State University (US) 2009-03-18 EP disclosed
WO-2007133790-A2 NF-ϰB INHIBITORS AND USES THEREOF THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2007-11-22 WO disclosed
EP-1532117-A4 MULTI-SUBSTITUDED IMIDAZOLINES AND METHOD OF USE THEREOF UNIV MICHIGAN STATE (US) 2006-05-10 EP disclosed
EP-1532117-A1 MULTI-SUBSTITUDED IMIDAZOLINES AND METHOD OF USE THEREOF Michigan State University (US) 2005-05-25 EP disclosed
WO-2003101969-A1 MULTI-SUBSTITUDED IMIDAZOLINES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 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 (3 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-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 CA2 2273/4885SMN1; SMN2 1785/4885MEN1 1396/4885
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 CA2 2273/4885SMN1; SMN2 1785/4885MEN1 1396/4885
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS SLC40A1, SLC39A14, HAMP CA2 2168/4885SMN1; SMN2 2001/4885MEN1 1312/4885

“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.