SCHEMBL2087076

SCHEMBL2087076

O=C1SCC(c2ccc(Cl)cc2)=NN1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MET P08581 1/20 0.50
AMY1A P0DUB6 1/20 0.46
MDM2 Q00987 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 1/20 0.42
RAB9A P51151 1/20 0.41
CFTR P13569 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL261421 0.88 ALDH1A1 (0.57) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL7798626 0.84 PDE4B (0.55) ALDH1A1LMNATDP1MAPTSMN1; SMN2
SCHEMBL2085735 0.82 LMNA (0.63) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL12431276 0.80 LMNA (0.57) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL14538748 0.78 LMNA (0.42) ALDH1A1LMNATDP1POLBKDM4E
SCHEMBL12513785 0.77 MET (0.53) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL5054313 0.77 MET (0.66) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL27743824 0.77 POLB (0.46) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL260681 0.76 LMNA (0.63) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL4482894 0.76 MET (0.64) ALDH1A1LMNATDP1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963295-B1 3, 6-DIHYDRO-2-OXO-6H-(1,3,4)THIADIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-03 EP disclosed
EP-1951697-B1 SUBSTITUTED 5-PHENYL-3,6-DIHYDRO-2-OXO-6H-[1,3,4]THIADIAZINES MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
US-7902186-B2 Substituted 5-phenyl-3,6-dihydro-2-oxo-6H-1,3,4-thiadiazines MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7902186-B2 Substituted 5-phenyl-3,6-dihydro-2-oxo-6H-1,3,4-thiadiazines MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7534785-B2 e.g.1-{3-[5-(4-chlorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-ylmethyl]phenyl}-3-(1-methylpyrrolidin-3-ylmethyl)urea; inhibitors of tyrosine kinases, in particular Met kinase; antitumor, antiinflammatory agent MERCK PATENT GESELLSCHAFT (DE) 2009-05-19 US disclosed
US-7534785-B2 e.g.1-{3-[5-(4-chlorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-ylmethyl]phenyl}-3-(1-methylpyrrolidin-3-ylmethyl)urea; inhibitors of tyrosine kinases, in particular Met kinase; antitumor, antiinflammatory agent MERCK PATENT GESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-11 US disclosed
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-11 US disclosed
EP-1963295-A1 3, 6-DIHYDRO-2-OXO-6H-(1,3,4)THIADIAZINE DERIVATIVES Merck Patent GmbH (DE) 2008-09-03 EP disclosed
EP-1951697-A1 SUBSTITUTED 5-PHENYL-3,6-DIHYDRO-2-OXO-6H-[1,3,4]THIADIAZINES Merck Patent GmbH (DE) 2008-08-06 EP disclosed
WO-2007057092-A1 SUBSTITUTED 5-PHENYL-3,6-DIHYDRO-2-OXO-6H-[1,3,4]THIADIAZINES MERCK PATENT GMBH (DE) 2007-05-24 WO disclosed
WO-2007057093-A1 3, 6-DIHYDRO-2-OXO-6H-(1,3,4)THIADIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-05-24 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-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines ABL1, RET, ERBB2 ALDH1A1 994/4885LMNA 4357/4885TDP1 2680/4885
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MET, ABL1, RET ALDH1A1 509/4885LMNA 4597/4885TDP1 2802/4885

“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.