SCHEMBL2837217

SCHEMBL2837217

Nc1ccc(-c2nnc(O)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.72
RAB9A P51151 12/20 0.72
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
MAPT P10636 4/20 0.60
HSD17B10 Q99714 3/20 0.60
GLA P06280 2/20 0.60
ALOX15 P16050 1/20 0.60
TP53 P04637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 1/20 0.50
NOTUM Q6P988 2/20 0.46
DGAT1 O75907 1/20 0.46
SNCA P37840 1/20 0.44

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
SCHEMBL601473 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL27285808 0.79 DGAT1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22996209 0.79 KDM4E (0.66) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23451582 0.79 NPC1 (0.72) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL21777005 0.79 RAB9A (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21776948 0.79 NOTUM (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL26673871 0.78 NPC1 (0.78) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4523089 0.78 NPC1 (0.70) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2835027 0.77 MECP2 (0.69) NPC1RAB9AMEN1KMT2AKDM4E
Neovadrine SCHEMBL22799863 0.77 PKM (0.71) NPC1RAB9AMEN1KMT2AKDM4E

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
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP 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
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
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 (1 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-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 NPC1 4299/4885RAB9A 1963/4885MEN1 2916/4885

“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.