SCHEMBL1024313

SCHEMBL1024313

FC(F)(F)Oc1cn[c]c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.33
SLC7A5 Q01650 1/20 0.33
GPR3 P46089 1/20 0.32
NOTUM Q6P988 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MPI P34949 1/20 0.31
CTSC P53634 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ1 P51787 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CHRNA7 P36544 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
SCHEMBL1026104 0.78 TRPA1 (0.37) TRPA1GPR3KCNQ3KCNQ2KCNQ1
SCHEMBL895932 0.74
SCHEMBL1034447 0.73 HRH4 (0.30)
SCHEMBL261330 0.73 GPR3 (0.36) GPR3NOTUMHDAC3HDAC1HDAC2
SCHEMBL2305437 0.71 SLC7A5 (0.40) TRPA1SLC7A5HDAC3HDAC1HDAC2
SCHEMBL2777134 0.70 GPR3 (0.33) GPR3NOTUMSCN5ASCN9A
SCHEMBL394514 0.69 ALDH1A1 (0.38)
SCHEMBL2178735 0.69 NQO1 (0.38)
SCHEMBL25353609 0.69 SLC7A5 (0.41) TRPA1SLC7A5GPR3NOTUMHDAC3
SCHEMBL27799385 0.68 CTSC (0.37) TRPA1SLC7A5GPR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 US claimed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US claimed
US-6593328-B2 Said compounds for the control of arthropod, nematode, helminth or protozoan pests, in particular to the application of said compounds or compositions in agricultural methods of use, particularly as pesticides, for controlling arthropods, RHONE-POULENC INC. 2003-07-15 US claimed
US-20030092680-A1 Novel pesticides WU TAI-TEH (US) 2003-05-15 US claimed
US-6500848-B2 INSECTICIDE, NEMATODICES, ANTIPROTOZOA AGENTS; VETERINARY MEDICINE RHONE-POULENC INC. 2002-12-31 US claimed
US-20020173492-A1 Novel pesticides WU TAI-TEH (US) 2002-11-21 US claimed
US-6376520-B1 INSECTICIDES, NEMATOCIDES RHONE-POULENC, INC. 2002-04-23 US claimed
US-20020045758-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2002-04-18 US claimed
US-6346522-B1 1-ARYLPYRAZOLES; SYSTEMIC PESTICIDES, INSECTICIDES, LARVICIDES, MITICIDES, ANTIPROTOZOA, AND ANTHELMINTIC AGENTS; AGRICULTURE, HORTICULTURE, ANIMAL HUSBANDRY, PUBLIC HEALTH AND VETERINARY MEDICINE RHONE-POULENC, INC. 2002-02-12 US claimed
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 2002-02-07 US claimed
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
US-5914335-A INSECTICIDES RHONE-POULENC INC. (US) 1999-06-22 US claimed
EP-0911329-A1 3-Substituted arylpyrazole derivatives RHONE-POULENC AGRO (FR) 1999-04-28 EP claimed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed
CN-1184810-A Pesticidal 1 -arylpyrazole -5 -sulfinilimine derivatives RHONE POULENC AGROCHIMIE (FR) 1998-06-17 CN claimed
EP-0839809-A1 Pesticidal 1-arylpyrazole-5-sulfinilimine derivatives RHONE-POULENC AGROCHIMIE (FR) 1998-05-06 EP claimed
US-5691333-A APPLYING TO CONTROL ARTHROPODS AND NEMATODES RHONE-POULENC INC. (US) 1997-11-25 US claimed
US-5629335-A Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters RHONE-POULENC INC. (US) 1997-05-13 US claimed
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US claimed
US-5236938-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC INC. (US) 1993-08-17 US claimed

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-20020173492-A1 Novel pesticides DDT, ACHE, PTMS TRPA1 76/4885SLC7A5 2300/4885GPR3 1789/4885
US-20020045758-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 TRPA1 252/4885SLC7A5 4354/4885GPR3 1191/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 TRPA1 252/4885SLC7A5 4354/4885GPR3 1191/4885
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES DDT, NAT1, CYP2E1 TRPA1 147/4885SLC7A5 3278/4885GPR3 263/4885
US-20030092680-A1 Novel pesticides DDT, ACHE, PTMS TRPA1 76/4885SLC7A5 2300/4885GPR3 1789/4885

“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.