SCHEMBL4532779

SCHEMBL4532779

NC(=S)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
RXFP1 Q9HBX9 3/20 0.53
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 6/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
TAS2R38 P59533 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL9573406 0.86 MAPT (0.43) KDM4ERXFP1KMT2ACYP1A2ALDH1A1
SCHEMBL22167182 0.82 MGLL (0.54) KMT2AALDH1A1MAPTMEN1MGLL
SCHEMBL9314587 0.81 MGLL (0.45) KDM4ERXFP1KMT2AALDH1A1TP53
SCHEMBL6694019 0.80 MAPT (0.59) KDM4ERXFP1KMT2ACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4640912 0.79 ALDH1A1 (0.37) KDM4ERXFP1KMT2ACYP1A2ALDH1A1
Acitazanolast SCHEMBL342549 0.79 GPR35 (0.54) KDM4EKMT2AALDH1A1TP53HSD17B10
Acitazanolast SCHEMBL3116621 0.78 GPR35 (0.53) KDM4EKMT2AALDH1A1TP53HSD17B10
SCHEMBL12017490 0.77 BTK (0.41) KDM4EKMT2ACYP1A2ALDH1A1TP53
SCHEMBL950001 0.77 CYP3A4 (0.60) KDM4EKMT2ACYP1A2ALDH1A1TP53
Hydrochloric Acid SCHEMBL12479891 0.76 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1TP53HSD17B10

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 KDM4E 4820/4885RXFP1 2341/4885KMT2A 4760/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KDM4E 4801/4885RXFP1 1838/4885KMT2A 4737/4885

“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.