SCHEMBL1000540

SCHEMBL1000540

O=C(N1c2ccccc2Sc2ccc(Cl)cc21)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.65
ACHE P22303 6/20 0.65
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.53
MAPT P10636 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
SCHEMBL3472676 0.92 BCHE (0.58) BCHEACHEMEN1KMT2A
SCHEMBL1001947 0.87 BCHE (0.63) BCHEACHEMAPT
SCHEMBL1000805 0.83 HPGD (0.62) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL4452339 0.82 BCHE (0.72) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL8870414 0.81 NOX1 (0.73) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL14291953 0.79 BCHE (0.89) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL28628271 0.79 BCHE (1.00) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL5239436 0.79 BCHE (0.78) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL3474481 0.79 HPGD (0.54) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL5192838 0.78 BCHE (0.50) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305380-A1 Methods for generating and recycling metal halide catalyst compositions for aromatic ring halogenation SABIC Innovative Plastics IP B.V. (NL) 2011-04-06 EP claimed
US-7863209-B2 Methods for recycling catalyst compositions for aromatic ring halogenation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-01-04 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-2008503463-A 2008-02-07 JP claimed
JP-2008503462-A 2008-02-07 JP claimed
EP-1758679-A2 METHODS FOR GENERATING AND RECYCLING METAL HALIDE CATALYST COMPOSITIONS FOR AROMATIC RING HALOGENATION GENERAL ELECTRIC COMPANY (US) 2007-03-07 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-2006009662-A2 METHODS FOR GENERATING AND RECYCLING METAL HALIDE CATALYST COMPOSITIONS FOR AROMATIC RING ALOGENATION GENERAL ELECTRIC COMPANY (US) 2006-01-26 WO claimed
US-20050283033-A1 Catalyst compositions and their use for chlorinating aromatic compounds GENERAL ELECTRIC COMPANY 2005-12-22 US claimed
US-20050283034-A1 Methods for recycling catalyst compositions for aromatic ring halogenation 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
EP-2305380-B1 Method for generating and recycling copper chloride catalyst compositions for aromatic ring chlorination SABIC INNOVATIVE PLASTICS IP (NL) 2013-02-20 EP disclosed
EP-2305380-A1 Methods for generating and recycling metal halide catalyst compositions for aromatic ring halogenation SABIC Innovative Plastics IP B.V. (NL) 2011-04-06 EP disclosed
US-7863209-B2 Methods for recycling catalyst compositions for aromatic ring halogenation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-01-04 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 (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-20050283034-A1 Methods for recycling catalyst compositions for aromatic ring halogenation PRKACG, HCN4, CLIC4 BCHE 2734/4885ACHE 2005/4885MEN1 655/4885
US-20050283033-A1 Catalyst compositions and their use for chlorinating aromatic compounds PRKACG, PRKACA, PRKACB BCHE 1037/4885ACHE 1265/4885MEN1 2032/4885
US-20040186329-A1 Catalyst composition and method for chlorinating aromatic compounds PRKACA, CLK4, PRKACG BCHE 1161/4885ACHE 416/4885MEN1 3176/4885
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 541/4885MEN1 3617/4885
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds AOC2, TYR, PRKX BCHE 1470/4885ACHE 2547/4885MEN1 2219/4885

“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.