SCHEMBL950585

SCHEMBL950585

O=C(O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.52
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
GRN P28799 2/20 0.49
SORT1 Q99523 2/20 0.49
NR3C2 P08235 1/20 0.44
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
TGFBR1 P36897 1/20 0.40
CARM1 Q86X55 1/20 0.39
NOTUM Q6P988 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
SCHEMBL951285 0.89 RXRA (0.49) KLKB1RXRANR1H2NR1H3KDM4E
SCHEMBL28773936 0.88 RXRA (0.48) KLKB1RXRANR1H2NR1H3ALDH1A1
SCHEMBL27775065 0.87 KLKB1 (0.56) KLKB1RXRANR1H2NR1H3KDM4E
SCHEMBL3224886 0.85 HTT (0.50) KLKB1KDM4EGRNSORT1PTGS1
SCHEMBL2254831 0.84 RXRA (0.48) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL27775081 0.82 RXRA (0.57) KLKB1RXRANR1H2NR1H3KDM4E
SCHEMBL2257208 0.81 PDE4B (0.56) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2262183 0.81 CARM1 (0.47) KLKB1RXRANR1H2NR1H3TRPV1
SCHEMBL2257738 0.81 RXRA (0.44) KLKB1RXRANR1H2NR1H3KDM4E
SCHEMBL950904 0.81 GRN (0.72) KLKB1KDM4EALDH1A1MAPTGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622595-B2 chemical intermediates to insecticides and anticoagulant inhibitors of factor Xa having a 1-halophenyl-3-trifluoromethylpyrazole moeity; 1-(1-chloro-2-phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-24 US claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
CN-101287721-B Hydrazide compound and pesticidal use of the same SUMITOMO CO LTD 2013-03-27 CN disclosed
CN-101679297-B LXR and FXR modulators EXELIXIS INC 2012-01-11 CN disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
CN-1543460-A Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests ��Ļ���Ű˾ 2004-11-03 CN disclosed
US-20040214828-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY 2004-10-28 US disclosed
EP-1435785-A1 IMINOBENZOXAZINES, IMINOBENZOTHIAZINES AND IMINOQUINAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-07-14 EP disclosed
EP-1417204-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. du Pont de Nemours and Company (US) 2004-05-12 EP disclosed
US-20040063738-A1 Substituted heterocyclic phthalic acid diamide arthropodicides E.I. DU PONT DE NEMOURS AND COMPANY 2004-04-01 US disclosed
EP-1341780-A2 SUBSTITUTED HETEROCYCLIC PHTHALIC ACID DIAMIDE ARTHROPODICIDES E. I. du Pont de Nemours and Company (US) 2003-09-10 EP disclosed
WO-2003032731-A1 IMINOBENZOXAZINES, IMINOBENZTHIAZINES AND IMINOQUINAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-24 WO disclosed
WO-2003016304-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed
WO-2002048137-A2 SUBSTITUTED HETEROCYCLIC PHTHALIC ACID DIAMIDE ARTHROPODICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-20 WO 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 (3 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-20040214828-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests NR0B1, IPO5, RER1 KLKB1 4627/4885RXRA 1529/4885NR1H2 748/4885
US-20040063738-A1 Substituted heterocyclic phthalic acid diamide arthropodicides DDT, QDPR, DDX6 KLKB1 3791/4885RXRA 1630/4885NR1H2 4270/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KLKB1 2079/4885RXRA 79/4885NR1H2 497/4885

“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.