SCHEMBL2835233

SCHEMBL2835233

O=[N+]([O-])c1ccc(-c2nnc(O)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 4/20 0.60
GSK3B P49841 4/20 0.59
NOTUM Q6P988 1/20 0.55
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
MEN1 O00255 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
METAP2 P50579 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49

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
SCHEMBL9720227 0.87 MAPT (0.70) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL4963929 0.82 GSK3B (0.46) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL2837185 0.81 RAB9A (0.73) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL26071703 0.81 NPC1 (0.73) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL17125478 0.79 MAPT (0.60) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL28820070 0.79 GSK3B (0.72) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL10401832 0.79 MAPT (0.60) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL223767 0.79 MAPT (0.65) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL6600158 0.79 MAPT (0.60) MAPTALDH1A1GSK3BNOTUMRAB9A
SCHEMBL28693032 0.79 RAB9A (0.72) MAPTALDH1A1GSK3BNOTUMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
CN-101248054-B Thiazole derivatives and use thereof MERCK SERONO SA 2012-05-09 CN disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
CN-101248054-A Thiazole derivatives and use thereof SERONO LAB (CH) 2008-08-20 CN disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 MAPT 1431/4885ALDH1A1 1260/4885GSK3B 877/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT MAPT 315/4885ALDH1A1 658/4885GSK3B 1024/4885
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 MAPT 1347/4885ALDH1A1 40/4885GSK3B 2068/4885

“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.