SCHEMBL458002

SCHEMBL458002

FC(F)(F)Oc1cc(Br)[c]c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.36
KIF11 P52732 1/20 0.32
MAPT P10636 2/20 0.31
EPHX2 P34913 1/20 0.31
GAA P10253 3/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
CES1 P23141 1/20 0.31
ALOX15 P16050 2/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7024699 0.86 GPR3 (0.32) GPR3
SCHEMBL1361401 0.82 TRPV1 (0.37) ALDH1A1TSHRHSD17B10
SCHEMBL1360496 0.77 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10
SCHEMBL1510479 0.75 PGR (0.39) GPR3KIF11MAPTEPHX2GAA
SCHEMBL12160006 0.75 PGR (0.39) GPR3KIF11MAPTEPHX2GAA
SCHEMBL457747 0.74 GPR3 (0.40) GPR3KIF11MAPTEPHX2GAA
SCHEMBL1024765 0.73 GPR3 (0.38) GPR3KIF11MAPTEPHX2GAA
SCHEMBL2253244 0.73 GPR3 (0.38) GPR3KIF11MAPTEPHX2GAA
SCHEMBL22926343 0.73 PGR (0.34) GPR3
SCHEMBL17157399 0.71 GPR3 (0.42) GPR3KIF11MAPTEPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN claimed
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-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-6350771-B1 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2002-02-26 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-6277848-B1 Pesticides RHONE-POULENC, INC. 2001-08-21 US claimed
US-6107314-A INSECTICIDES, NEMATOCIDES, PARASITICIDES RHONE-POULENC INC. (US) 2000-08-22 US 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
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
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 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 (4 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 GPR3 1789/4885KIF11 3207/4885MAPT 3587/4885
US-20020045758-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GPR3 1191/4885KIF11 4050/4885MAPT 4318/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GPR3 1191/4885KIF11 4050/4885MAPT 4318/4885
US-20030092680-A1 Novel pesticides DDT, ACHE, PTMS GPR3 1789/4885KIF11 3207/4885MAPT 3587/4885

“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.