SCHEMBL2837185

SCHEMBL2837185

O=[N+]([O-])c1cccc(-c2nnc(O)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
MAPT P10636 5/20 0.73
ALDH1A1 P00352 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
KDM4E B2RXH2 1/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA13 Q8N1Q1 2/20 0.61
PSMB8 P28062 1/20 0.56
LMNA P02545 1/20 0.55
METAP2 P50579 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ELANE P08246 1/20 0.51
POLB P06746 1/20 0.51
GUSB P08236 1/20 0.50
TP53 P04637 1/20 0.49
THRB P10828 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
SCHEMBL10245542 0.84 NPC1 (1.00) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5960348 0.84 MAPT (0.53) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL30362152 0.82 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL29006444 0.82 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4607599 0.82 RAB9A (0.73) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL28372775 0.82 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2835233 0.81 MAPT (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL656666 0.81 NPC1 (0.76) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3757160 0.81 RAB9A (0.76) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12798159 0.80 NPC1 (0.74) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN 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
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB RAB9A 2095/4885NPC1 3795/4885MAPT 4151/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC RAB9A 3033/4885NPC1 3530/4885MAPT 1418/4885
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 RAB9A 1963/4885NPC1 4299/4885MAPT 1347/4885

“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.