SCHEMBL2396561

SCHEMBL2396561

NC(=S)Nc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.51
KCNQ2 O43526 13/20 0.51
KCNE1 P15382 10/20 0.51
KCNQ1 P51787 10/20 0.51
BACE1 P56817 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45
TYR P14679 1/20 0.45
TSHR P16473 1/20 0.45
TAS2R38 P59533 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28603489 0.82 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL16785423 0.81 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4029126 0.81 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6811392 0.79 MAPT (0.56) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7764259 0.78 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6811387 0.77 TDP1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL1889417 0.77 NPSR1 (0.47) KCNQ3KCNQ2NPSR1ALDH1A1CYP3A4
SCHEMBL367946 0.77 KCNQ3 (0.47) KCNQ3KCNQ2NPSR1ALDH1A1CYP3A4
SCHEMBL14053507 0.77 NPSR1 (0.47) NPSR1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL6361424 0.76 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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 17 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
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
CN-100569770-C 5-phenyl thiazole derivant and they purposes as the PI3 kinase inhibitor NOVARTIS AG (CH) 2009-12-16 CN disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 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
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
CN-1780832-A 5-phenylthiazole derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2006-05-31 CN disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO disclosed
US-4997667-A Pyridinyl compounds of N-carbamoyl-N-thiocarbamoyl- or N-amidino-glycine or beta-alanine useful as sweetening agents UNIVERSITE CLAUDE BERNARD (FR) 1991-03-05 US 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 KCNQ3 2870/4885KCNQ2 3116/4885KCNE1 3374/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KCNQ3 2773/4885KCNQ2 3093/4885KCNE1 3343/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 KCNQ3 766/4885KCNQ2 1203/4885KCNE1 815/4885

“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.