SCHEMBL3474481

SCHEMBL3474481

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
BCHE P06276 2/20 0.50
LMNA P02545 5/20 0.49
ACHE P22303 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL1000805 0.93 HPGD (0.62) HPGDNPSR1MEN1KMT2AGAA
SCHEMBL1001947 0.88 BCHE (0.63) GAABCHEACHENOX1
SCHEMBL3472676 0.84 BCHE (0.58) MEN1KMT2ABCHEACHE
SCHEMBL24439579 0.79 NOX1 (0.67) HPGDNPSR1MEN1KMT2AGAA
SCHEMBL1000540 0.79 BCHE (0.65) MEN1KMT2ABCHELMNAACHE
SCHEMBL28624938 0.77 BCHE (0.69) HPGDNPSR1BCHEACHE
SCHEMBL4858540 0.76 NOX1 (0.50) BCHEACHENOX1
SCHEMBL4556567 0.75 BCHE (0.59) NPSR1BCHEACHENOX1
SCHEMBL11781829 0.75 HPGD (0.57) HPGDNPSR1MEN1KMT2AGAA
SCHEMBL25800339 0.74 NOX1 (0.63) HPGDNPSR1GAABCHEACHE

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
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-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
EP-1778398-A2 CATALYST COMPOSITION AND METHOD FOR HALOGENATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2007-05-02 EP disclosed
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds GENERAL ELECTRIC COMPANY 2005-12-22 US disclosed
US-20050283033-A1 Catalyst compositions and their use for chlorinating 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 HPGD 3785/4885NPSR1 3821/4885MEN1 2032/4885
US-20040186329-A1 Catalyst composition and method for chlorinating aromatic compounds PRKACA, CLK4, PRKACG HPGD 3379/4885NPSR1 2326/4885MEN1 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 HPGD 2972/4885NPSR1 1530/4885MEN1 3617/4885
US-20050283035-A1 Catalyst compostion and method for halogenating aromatic compounds AOC2, TYR, PRKX HPGD 4091/4885NPSR1 2583/4885MEN1 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.