SCHEMBL1960192

SCHEMBL1960192

Nc1cc(=O)[nH]c(=S)n1Cc1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.75
ALDH1A1 P00352 10/20 0.53
POLB P06746 5/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MAPT P10636 4/20 0.51
PKM P14618 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
BLM P54132 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PNP P00491 2/20 0.46
RECQL P46063 2/20 0.46
MCL1 Q07820 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8133362 0.86 TSHR (1.00) TSHRALDH1A1POLBMTNR1AMTNR1B
SCHEMBL1958885 0.78 TSHR (0.52) TSHRALDH1A1POLBMAPTPKM
SCHEMBL1960199 0.74 ALDH1A1 (0.49) TSHRALDH1A1POLBMAPTPKM
SCHEMBL1958450 0.71 KMT2A (0.56) ALDH1A1MTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL2454163 0.71 MTNR1A (0.54) ALDH1A1MTNR1AMTNR1BMAPTPKM
SCHEMBL2454484 0.70 MTNR1A (0.41) TSHRALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL1461132 0.70 MPO (0.61) TSHRALDH1A1POLBMAPTHPGD
SCHEMBL2455424 0.69 MTNR1A (0.49) TSHRALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL11362739 0.69 TSHR (0.59) TSHRALDH1A1POLBMAPTPKM
SCHEMBL8135676 0.69 TSHR (0.62) TSHRALDH1A1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8236951-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2012-08-07 US disclosed
EP-2332541-A1 Use of thioxanthine derivatives as MPO inhibitors AstraZeneca AB (SE) 2011-06-15 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 US disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 US disclosed
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 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 (5 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TSHR 3338/4885ALDH1A1 1930/4885POLB 3933/4885
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX TSHR 174/4885ALDH1A1 178/4885POLB 1017/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TSHR 3338/4885ALDH1A1 1930/4885POLB 3933/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX TSHR 174/4885ALDH1A1 178/4885POLB 1017/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TSHR 3338/4885ALDH1A1 1930/4885POLB 3933/4885

“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.