SCHEMBL4816775

SCHEMBL4816775

NC(=O)c1cnccc1C(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39

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
SCHEMBL16094232 0.85 TDP1 (0.50) SIRT3TDP1KDM4EHTTF7
SCHEMBL3932429 0.83 KDM4C (0.48) SIRT3TDP1KDM4EALDH1A1MEN1
SCHEMBL9017978 0.81 SIRT3 (0.59) SIRT3TDP1KDM4EHTTF7
SCHEMBL6215853 0.81 SIRT3 (0.59) SIRT3TDP1KDM4EHTTF7
SCHEMBL19052362 0.81 TDP1 (0.38) SIRT3TDP1KDM4EALDH1A1MEN1
SCHEMBL1330970 0.80 TDP1 (0.67) SIRT3TDP1KDM4EHTTF7
SCHEMBL1687197 0.80 TDP1 (0.67) SIRT3TDP1KDM4EHTTF7
SCHEMBL16344275 0.77 KDM4E (0.54) KDM4EHTTALDH1A1KMT2AL3MBTL1
SCHEMBL16466448 0.77 TDP1 (0.50) SIRT3TDP1KDM4EHTTF7
SCHEMBL27598612 0.76 SIRT3 (0.42) SIRT3TDP1KDM4EHTTF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317105-B2 Preparation of 4-haloalkylnicotinamides BAYER CROPSCIENCE AG (DE) 2008-01-08 US disclosed
CN-1310888-C Method for producing 4-haloalkyl nicotinic acid amides BAYER CROPSCIENCE GMBH (DE) 2007-04-18 CN disclosed
US-20060100217-A9 Preparation of 4-haloalkylnicotinamides PAZENOK SERGIY 2006-05-11 US disclosed
CN-1656074-A Method for producing 4-haloalkyl nicotinic acid amides BAYER CROPSCIENCE GMBH (DE) 2005-08-17 CN disclosed
EP-1511731-A1 METHOD FOR PRODUCING 4-HALOALKYL NICOTINIC ACID AMIDES Bayer CropScience GmbH (DE) 2005-03-09 EP disclosed
WO-2003099791-A1 METHOD FOR PRODUCING 4-HALOALKYL NICOTINIC ACID AMIDES BAYER CROPSCIENCE GMBH (DE) 2003-12-04 WO disclosed
CN-1044233-C Amide compounds and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1999-07-21 CN disclosed
EP-0580374-B1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA (JP) 1996-01-03 EP disclosed
US-5360806-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-11-01 US disclosed
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN disclosed
EP-0580374-A1 Pyridine amides and their salts, processes for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-01-26 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 (1 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-20060100217-A9 Preparation of 4-haloalkylnicotinamides CBR3, CBR1, POR SIRT3 1339/4885TDP1 4590/4885KDM4E 2611/4885

“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.