SCHEMBL3753144

SCHEMBL3753144

Cn1nc(C(F)(F)F)c(CBr)c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
LMNA P02545 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MEN1 O00255 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 2/20 0.31
CYP3A4 P08684 1/20 0.30
L3MBTL1 Q9Y468 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4171199 0.87 MAPK1 (0.34) ALOX5APFEN1
SCHEMBL4164008 0.84 KMT2A (0.33) KMT2ALMNAALOX5APFEN1MEN1
SCHEMBL4173041 0.84 SMN1; SMN2 (0.36) KMT2ALMNAALOX5APFEN1MEN1
SCHEMBL5374117 0.83 ALOX5AP (0.33) KMT2AALOX5APFEN1MEN1CYP1A2
SCHEMBL4216676 0.83 ALOX5AP (0.33) KMT2ALMNAALOX5APFEN1MEN1
SCHEMBL4173053 0.82 ALOX5AP (0.34) KMT2ALMNAALOX5APFEN1MEN1
SCHEMBL4169708 0.81 KMT2A (0.33) KMT2ALMNAMEN1CYP1A2CYP2C9
SCHEMBL28449099 0.80
SCHEMBL1028460 0.79 ALOX5AP (0.32) KMT2AALOX5APFEN1MEN1CYP1A2
SCHEMBL5369514 0.78 LMNA (0.36) KMT2ALMNAMEN1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003964-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE ADAMA AGAN LTD (IL) 2024-09-18 EP disclosed
EP-1541561-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2014-07-23 EP disclosed
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-25 US disclosed
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
US-20070249844-A1 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-10-25 US disclosed
US-7256298-B2 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-14 US disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 WO disclosed
US-20050215797-A1 Pyrazole derivatives and process for the production thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-09-29 US disclosed
EP-1541561-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-06-15 EP 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-20070249844-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 KMT2A 4132/4885LMNA 4215/4885ALOX5AP 2663/4885
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES CYP3A7, CYP2W1, CBR3 KMT2A 3291/4885LMNA 4752/4885ALOX5AP 1573/4885
US-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 KMT2A 135/4885LMNA 2455/4885ALOX5AP 4311/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KMT2A 1605/4885LMNA 4444/4885ALOX5AP 2544/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 KMT2A 4132/4885LMNA 4215/4885ALOX5AP 2663/4885

“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.