SCHEMBL4515216

SCHEMBL4515216

NC(=S)Nc1cccc(C2OCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
TSHR P16473 1/20 0.46
TAS2R38 P59533 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.36
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL5362260 0.78 ALDH1A1 (0.51) KMT2ACYP1A2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4047674 0.75 KMT2A (0.76) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL17010980 0.72 ALDH1A1 (0.41) KMT2AALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL31687482 0.72 MEN1 (0.64) KMT2ANPC1RAB9AKDM1AMAOA
SCHEMBL17153248 0.71 ALDH1A1 (0.43) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12401737 0.71 SMN1; SMN2 (0.41) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16835184 0.71 NPC1 (0.53) KMT2ACYP1A2ALDH1A1TP53SMN1; SMN2
SCHEMBL4911123 0.70 BAZ1A (0.60) KMT2ARAB9AHTT
SCHEMBL233377 0.70 NPSR1 (0.53) CYP1A2ALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL6697278 0.69 PARP1 (0.68) TSHRHSD17B10KDM1AMAOAMAOB

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 7 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
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-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
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 (2 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 KMT2A 4760/4885CYP1A2 2522/4885ALDH1A1 234/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KMT2A 4737/4885CYP1A2 2078/4885ALDH1A1 174/4885

“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.