SCHEMBL1806545

SCHEMBL1806545

O=[N+]([O-])c1cccc(-c2csc(S)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.61
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
MAOA P21397 7/20 0.57
MAOB P27338 7/20 0.57
VCP P55072 1/20 0.57
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL8124240 0.84 MAPT (0.66) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL25247614 0.84 CSNK2A1 (0.62) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL426369 0.84 MAPT (0.66) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL8685929 0.83 MAPT (0.69) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL7093116 0.82 CSNK2A1 (0.61) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL30480033 0.82 CSNK2A1 (0.61) CSNK2A1MEN1MAPTKMT2AALDH1A1
Bromide SCHEMBL8360677 0.82 MAPT (0.68) CSNK2A1MEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8356902 0.82 MAPT (0.64) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL12591893 0.79 CSNK2A1 (0.57) CSNK2A1MEN1MAPTKMT2AALDH1A1
SCHEMBL22347171 0.79 ALDH1A1 (0.59) CSNK2A1MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
EP-1205472-B1 Process for the preparation of dithiazolyldisulfides BAYER AG (DE) 2005-01-26 EP disclosed
US-6610857-B2 Oxidation of 2-mercaptothiazoles with peroxidic compounds in an aqueous suspension BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
EP-1205472-A1 Process for the preparation of dithiazolyldisulfides BAYER AG (DE) 2002-05-15 EP disclosed
US-20020055640-A1 Process for the production of dithiazolyl disulfides LANXESS DEUTSCHLAND GMBH (DE) 2002-05-09 US disclosed
US-6248896-B1 APPROPRIATELY SUBSTITUTED 2-MERCAPTOTHIAZOLE IS OXIDIZED WITH OXYGEN OR AN OXYGEN-CONTAINING GAS IN THE PRESENCE OF A SOLVENT AND A TERTIARY AMINE AND IRON HEMIPORPHYRAZINE. BAYER AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
US-6124467-A Process for the preparation of dithiazolyl disulfides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
EP-1008591-A1 Process for the preparation of dithiazolyldisulfides Bayer Aktiengesellschaft (DE) 2000-06-14 EP disclosed
US-5124450-A Reacting solution of 2-mercaptothiazole, saturated secondary heterocyclic amine, sulfur in presence of oxygen, ammonia, copper or cerium catalyst AKZO N.V. (NL) 1992-06-23 US disclosed
EP-0481366-A1 Process for the preparation of 2-Aminodithiothiazoles and 2-Aminotrithiothiazoles Akzo Nobel N.V. (NL) 1992-04-22 EP disclosed
US-4558135-A AMMONIA CATALYST AKZONA INCORPORATED (US) 1985-12-10 US disclosed
US-4307236-A BY CATALYTIC OXIDATION OF 2-MERCAPTO THIAZOLES AKZONA INCORPORATED (US) 1981-12-22 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 (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-20020055640-A1 Process for the production of dithiazolyl disulfides GPX4, PRDX3, PRDX2 CSNK2A1 2514/4885MEN1 4693/4885MAPT 2206/4885
US-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 CSNK2A1 1797/4885MEN1 965/4885MAPT 1025/4885

“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.