SCHEMBL3759587

SCHEMBL3759587

Cc1nccc(C(F)(F)F)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
NTRK1 P04629 5/20 0.38
PIM1 P11309 5/20 0.38
KMT2A Q03164 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TACR1 P25103 2/20 0.36
ACVR1 Q04771 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SORT1 Q99523 1/20 0.35
CD38 P28907 1/20 0.35
NR3C2 P08235 2/20 0.35
KMO O15229 1/20 0.34
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL148901 0.84 AAK1 (0.44) AAK1KMT2ATACR1HTTHSD17B10
SCHEMBL4307227 0.82 KMO (0.47) AAK1MKNK1MKNK2TACR1HSD17B10
SCHEMBL7043557 0.81 HTT (0.40) KMT2AMKNK1MKNK2HTTHSD17B10
SCHEMBL27431180 0.81 ALDH1A1 (0.37) AAK1TACR1SORT1NR3C2ALDH1A1
SCHEMBL7411662 0.80 NOTUM (0.42) AAK1KMT2ATACR1HTTSORT1
SCHEMBL27592637 0.79 TYK2 (0.38) KMT2AHTTHSD17B10NR3C2KMO
SCHEMBL28182603 0.79 KMT2A (0.38) NTRK1PIM1KMT2AACVR1HTT
SCHEMBL27608753 0.77 AAK1 (0.39) AAK1TACR1HTTHSD17B10SORT1
SCHEMBL7195567 0.77 ALDH1A1 (0.37) KMT2AHTTHSD17B10CD38NR3C2
SCHEMBL27333817 0.77 LOXL2 (0.37) KMT2AHTTHSD17B10CD38NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006774-B Pest control agent composition and pest control method Ishihara Sangyo Kabushiki Kaisha Ltd. (JP) 2016-04-06 CN claimed
CN-103951616-B N-cyanogen methyl-4-(trifluoromethyl) preparation method of niacinamide HUNAN CHEMICAL ENGINEERING INST. (CN) 2016-03-16 CN claimed
CN-104761493-A A synthetic method of N-cyanomethyl-4-(trifluoromethyl)nicotinamide WUXI JIABAO PESTICIDE & PHARMACEUTICAL CO LTD 2015-07-08 CN claimed
CN-102006774-A Pest control agent composition and pest control method ISHIHARA SANGYO KAISHA 2011-04-06 CN claimed
CN-100496248-C Pesticide composition ISHIHARA SANGYO KAISHA (JP) 2009-06-10 CN claimed
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 claimed
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN claimed
CN-102006774-B Pest control agent composition and pest control method Ishihara Sangyo Kabushiki Kaisha Ltd. (JP) 2016-04-06 CN disclosed
CN-103951616-B N-cyanogen methyl-4-(trifluoromethyl) preparation method of niacinamide HUNAN CHEMICAL ENGINEERING INST. (CN) 2016-03-16 CN disclosed
CN-103951616-B N-cyanogen methyl-4-(trifluoromethyl) preparation method of niacinamide HUNAN CHEMICAL ENGINEERING INST. (CN) 2016-03-16 CN disclosed
CN-104761493-A A synthetic method of N-cyanomethyl-4-(trifluoromethyl)nicotinamide WUXI JIABAO PESTICIDE & PHARMACEUTICAL CO LTD 2015-07-08 CN disclosed
CN-104478814-A Crystalline modifications of prothioconazole MAKHTESHIM CHEM WORKS LTD 2015-04-01 CN disclosed
CN-102083802-B Crystal modification of prothioconazole MAKHTESHIM CHEM WORKS LTD 2015-02-04 CN disclosed
CN-1476430-A Delta as pesticide1-pyrrolines �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-02-18 CN disclosed
US-20040024026-A1 Pesticidal composition ISHIHARA SANGYO KAISHA, LTD (JP) 2004-02-05 US disclosed
WO-2003069990-A2 COMPOSITION AND METHOD FOR CONTROLLING HOUSE INSECT PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-08-28 WO disclosed
EP-1328154-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-07-23 EP disclosed
WO-2002034050-A1 PESTICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 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
CN-1081670-A Amide compound and salt thereof, their manufacturing process and pesticide composition thereof ISHIHARA SANGYO KAISHA (JP) 1994-02-09 CN 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-20040024026-A1 Pesticidal composition PRDX1, DDT, PRDX6 AAK1 2519/4885NTRK1 4183/4885PIM1 3583/4885

“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.