SCHEMBL3472676

SCHEMBL3472676

O=C(N1c2ccccc2Sc2cc(Cl)ccc21)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.58
ACHE P22303 7/20 0.58
SNCA P37840 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1000540 0.92 BCHE (0.65) BCHEACHEMEN1KMT2A
SCHEMBL1001947 0.87 BCHE (0.63) BCHEACHE
SCHEMBL3474481 0.84 HPGD (0.54) BCHEACHEMEN1KMT2A
SCHEMBL1000805 0.78 HPGD (0.62) BCHEMEN1KMT2A
SCHEMBL5192838 0.78 BCHE (0.50) BCHEACHE
SCHEMBL4556567 0.74 BCHE (0.59) BCHEACHE
SCHEMBL4452339 0.74 BCHE (0.72) BCHEACHEMEN1KMT2A
SCHEMBL14291953 0.73 BCHE (0.89) BCHEACHEMEN1KMT2A
SCHEMBL28628271 0.73 BCHE (1.00) BCHEACHEMEN1KMT2A
SCHEMBL28621387 0.73 BCHE (0.76) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763760-B2 Catalyst composition and method for halogenating aromatic compounds SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-07-27 US claimed
US-7557058-B2 Catalyst composition and method for chlorinating aromatic compounds SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US claimed
JP-2008503461-A 2008-02-07 JP claimed
JP-2008503463-A 2008-02-07 JP claimed
US-7282615-B2 Catalyst compositions and their use for chlorinating aromatic compounds SABIC INNOVATIVE PLASTICS, IP BV 2007-10-16 US claimed
EP-1778398-A2 CATALYST COMPOSITION AND METHOD FOR HALOGENATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2007-05-02 EP claimed
US-20060094912-A1 toluene and o-xylene are chlorinated in the presence of a catalyst combination produced by (1) a combination of a salt of of 4-12 metal, lanthanide, actinides; and an organic acidic counterion; (2) an organic sulfur SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2006-05-04 US claimed
US-7012166-B2 Catalyst composition and method for chlorinating aromatic compounds GENERAL ELECTRIC COMPANY (US) 2006-03-14 US claimed
WO-2006009678-A1 CATALYST COMPOSITIONS AND THEIR USE FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-01-26 WO claimed
WO-2006009661-A2 CATALYST COMPOSITION AND METHOD FOR HALOGENATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-01-26 WO claimed
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds GENERAL ELECTRIC COMPANY 2005-12-22 US claimed
US-20050283033-A1 Catalyst compositions and their use for chlorinating aromatic compounds GENERAL ELECTRIC COMPANY 2005-12-22 US claimed
WO-2004082826-A2 CATALYST COMPOSITION AND METHOD FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-09-30 WO claimed
US-20040186329-A1 Catalyst composition and method for chlorinating aromatic compounds GENERAL ELECTRIC COMPANY 2004-09-23 US claimed
US-7763760-B2 Catalyst composition and method for halogenating aromatic compounds SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-07-27 US disclosed
US-7557058-B2 Catalyst composition and method for chlorinating aromatic compounds SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed
US-7282615-B2 Catalyst compositions and their use for chlorinating aromatic compounds SABIC INNOVATIVE PLASTICS, IP BV 2007-10-16 US disclosed
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds GENERAL ELECTRIC COMPANY 2005-12-22 US disclosed
WO-2004082826-A2 CATALYST COMPOSITION AND METHOD FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-09-30 WO disclosed
US-20040186329-A1 Catalyst composition and method for chlorinating aromatic compounds GENERAL ELECTRIC COMPANY 2004-09-23 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 (4 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-20050283033-A1 Catalyst compositions and their use for chlorinating aromatic compounds PRKACG, PRKACA, PRKACB BCHE 1037/4885ACHE 1265/4885SNCA 323/4885
US-20040186329-A1 Catalyst composition and method for chlorinating aromatic compounds PRKACA, CLK4, PRKACG BCHE 1161/4885ACHE 416/4885SNCA 380/4885
US-20060094912-A1 toluene and o-xylene are chlorinated in the presence of a catalyst combination produced by (1) a combination of a salt of of 4-12 metal, lanthanide, actinides; and an organic acidic counterion; (2) an organic sulfur CLIC4, CLK4, PRKACA BCHE 1764/4885ACHE 541/4885SNCA 1023/4885
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds AOC2, TYR, PRKX BCHE 1470/4885ACHE 2547/4885SNCA 1220/4885

“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.