SCHEMBL4524394

SCHEMBL4524394

CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
MAPT P10636 7/20 0.78
MEN1 O00255 7/20 0.78
KMT2A Q03164 7/20 0.78
KDM4E B2RXH2 4/20 0.78
HPGD P15428 3/20 0.78
MMP9 P14780 1/20 0.77
PIK3CG P48736 3/20 0.72
POLB P06746 2/20 0.71
PKM P14618 1/20 0.71
GAA P10253 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
THRB P10828 1/20 0.69
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
USP2 O75604 1/20 0.66
ALOX15 P16050 1/20 0.66

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
SCHEMBL4520347 0.90 MMP9 (0.76) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4511244 0.89 MMP9 (0.74) ALDH1A1MAPTMEN1KMT2AKDM4E
Bromide SCHEMBL14053708 0.89 MMP9 (0.74) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14146803 0.89 PIK3CG (0.76) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL14053781 0.88 MMP9 (0.73) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8738344 0.88 MMP9 (0.73) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14146824 0.88 MMP9 (0.73) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4522975 0.88 MMP9 (0.73) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29394354 0.87 MMP9 (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL14053885 0.87 MMP9 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US claimed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US claimed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP claimed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US 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
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 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 (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 ALDH1A1 234/4885MAPT 4151/4885MEN1 1164/4885
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 ALDH1A1 1395/4885MAPT 4402/4885MEN1 2970/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885MAPT 1418/4885MEN1 1761/4885

“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.