SCHEMBL791513

SCHEMBL791513

NC(=S)c1c(F)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PBRM1 Q86U86 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
BACE1 P56817 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Chlorthiamid SCHEMBL54987 0.86 ALDH1A1 (0.50) GAAALDH1A1L3MBTL1TAAR1
Chlorthiamid SCHEMBL8541243 0.86 ALDH1A1 (0.50) GAAALDH1A1L3MBTL1TAAR1
SCHEMBL318849 0.86 CES2 (0.50) ITGB2ICAM1ITGALCES2CES1
SCHEMBL20560200 0.83 GAA (0.47) GAAALDH1A1JAK2JAK1TYK2
SCHEMBL2867748 0.81 PBRM1 (0.58) GAAITGB2ICAM1ITGALALDH1A1
SCHEMBL4737570 0.81 BACE1 (0.50) GAAITGB2ICAM1ITGALALDH1A1
Hydrochloric Acid SCHEMBL15568289 0.79 PBRM1 (0.56) GAAITGB2ICAM1ITGALALDH1A1
Hydrochloric Acid SCHEMBL3717023 0.79 BACE1 (0.49) GAAITGB2ICAM1ITGALALDH1A1
SCHEMBL11825893 0.78 TSHR (0.46) ALDH1A1L3MBTL1JAK1
SCHEMBL7242129 0.78 PBRM1 (0.44) GAAITGB2ICAM1ITGALALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
CN-1136218-C Process for preparing 3- (substituted phenyl) -5- (thienyl or furyl) -1, 2, 4-triazoles and novel intermediates used therein ��ũҵ��ѧ��˾ 2004-01-28 CN disclosed
CN-1124274-C 3- (substituted phenyl) -5-thienyl-1, 2, 4-triazole compounds for controlling whitefly DOW AGROSCIENCES LLC (US) 2003-10-15 CN disclosed
US-6329528-B1 REACTING ALKYL BENZTHIOIMIDATE OR ITS ACID ADDITION SALT WITH FURAN OR THIOFURAN ACID CHLORIDE COMPOUND TO PRODUCT ADDUCT-INTERMEDIATE; REACTING WITH METHYLHYDRAZINE TO PRODUCE 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC 2001-12-11 US disclosed
CN-1324357-A 3- (substituted phenyl) -5-thienyl-1, 2, 4-triazole compounds for controlling whitefly DOW AGROSCIENCES LLC (US) 2001-11-28 CN disclosed
CN-1324356-A Process for preparing 3- (substituted phenyl) -5- (thienyl or furyl) -1, 2, 4-triazoles and novel intermediates used therein DOW AGROSCIENCES CORP (US) 2001-11-28 CN disclosed
EP-1123291-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN Dow Agrosciences LLC (US) 2001-08-16 EP disclosed
EP-1123290-A1 3-(SUBSTITUTED PHENYL)-5-THIENYL-1,2,4-TRIAZOLE COMPOUNDS WITH ACTIVITY AGAINST WHITEFLY Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
US-6265424-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6096898-A One pot synthesis of 1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2000-08-01 US disclosed
WO-2000024738-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
WO-2000024737-A1 3-(SUBSTITUTED PHENYL)-5-THIENYL-1,2,4-TRIAZOLE COMPOUNDS WITH ACTIVITY AGAINST WHITEFLY DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R GAA 2142/4885ITGB2 860/4885ICAM1 4815/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R GAA 2142/4885ITGB2 860/4885ICAM1 4815/4885

“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.