SCHEMBL4353382

SCHEMBL4353382

N#Cc1cc2ccccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TRPM4 Q8TD43 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 3/20 0.38
TSHR P16473 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL149126 0.83 CA1 (0.64) CA1CA2KDM4EALDH1A1GAA
SCHEMBL29489128 0.83 CA1 (0.64) CA1CA2KDM4EALDH1A1GAA
SCHEMBL5695621 0.79 IMPDH2 (0.43) CA1CA2KDM4EHTTSMN1; SMN2
SCHEMBL769641 0.78 CA1 (0.59) CA1CA2KDM4EALDH1A1GAA
SCHEMBL31251446 0.78 CA1 (0.59) CA1CA2KDM4EALDH1A1GAA
SCHEMBL9804790 0.78 CA1 (0.59) CA1CA2KDM4EALDH1A1GAA
SCHEMBL5696365 0.78 IMPDH2 (0.42) CA1CA2KDM4EHTTSMN1; SMN2
SCHEMBL5696368 0.78 IMPDH2 (0.42) CA1CA2KDM4EHTTSMN1; SMN2
SCHEMBL691452 0.77 TRPM4 (0.41) CA1CA2KDM4EALDH1A1GAA
SCHEMBL7765659 0.77 SNCA (0.43) CA2ESR2MEN1KMT2AAR

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 22 patents — showing the first 20. 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
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US disclosed
EP-1380577-B1 Thiazoline acid derivatives UNIV FLORIDA (US) 2009-11-18 EP disclosed
EP-2096112-A2 Thiazoline acid derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-09-02 EP disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
EP-1652837-A1 AMINOCARBONYL NAPHTHOL DERIVATIVE, CYANONAPHTHOL DERIVATIVE, AND METHOD FOR PRODUCING THEM Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 2006-05-03 EP disclosed
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders BAYER HEALTHCARE LLC 2005-07-28 US disclosed
CN-1639146-A Fused tricyclic heterocycles useful for the treatment of hyperproliferative diseases BAYER PHARMACEUTICALS CORP (US) 2005-07-13 CN disclosed
EP-1478639-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP disclosed
EP-1380577-A1 Thiazoline acid derivatives UNIVERSITY OF FLORIDA (US) 2004-01-14 EP disclosed
WO-2003072566-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
US-5840739-A Thiazoline acid derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-11-24 US disclosed
EP-0351732-B1 Polyester composition TORAY INDUSTRIES (JP) 1995-12-13 EP disclosed
US-5110849-A Moldability at low temperature, melt processability, nonhydrolyzing TORAY INDUSTRIES, INC. (JP) 1992-05-05 US disclosed
EP-0351732-A2 Polyester composition TORAY INDUSTRIES, INC. (JP) 1990-01-24 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 (5 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 CA1 2683/4885CA2 2273/4885KDM4E 3390/4885
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders MKI67, CCNA2, CDK4 CA1 4826/4885CA2 4243/4885KDM4E 3497/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA CA1 4657/4885CA2 3655/4885KDM4E 3721/4885
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 CA1 2683/4885CA2 2273/4885KDM4E 3390/4885
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS SLC40A1, SLC39A14, HAMP CA1 2847/4885CA2 2168/4885KDM4E 3293/4885

“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.