SCHEMBL9894480

SCHEMBL9894480

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Br)c1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 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
SCHEMBL18724442 0.91 POLB (0.39) POLBCYP3A4TSHRALDH1A1TP53
SCHEMBL1274565 0.87 GAA (0.46) GAAMAPT
SCHEMBL698408 0.85 POLB (0.52) POLBCYP3A4TSHRALDH1A1TP53
SCHEMBL2429565 0.83 POLB (0.41) POLBCYP3A4TSHRALDH1A1TP53
SCHEMBL19240451 0.81 TSHR (0.34) CYP3A4TSHRALDH1A1TDP1
SCHEMBL1050751 0.80 ADRB2 (0.39) POLBTSHRALDH1A1GAAMAPT
SCHEMBL13515978 0.79 POLB (0.46) POLBCYP3A4TSHRALDH1A1TP53
SCHEMBL16155869 0.79 GAA (0.42) GAAMAPT
SCHEMBL289233 0.78 CA1 (0.43) POLBCYP3A4ALDH1A1GAAMAPT
SCHEMBL21899364 0.78 CA1 (0.43) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778192-B Polyfluoroalkyl-containing isoindolinone benzamide derivatives, and preparation method and application thereof 浙江省化工研究院有限公司 2022-12-02 CN disclosed
WO-2022135447-A1 CYANO-SUBSTITUTED BENZAMIDE COMPOUND AND APPLICATION THEREOF 南通泰禾化工股份有限公司 2022-06-30 WO disclosed
CN-114656373-A Cyano-substituted benzamide compound and application thereof 南通泰禾化工股份有限公司 2022-06-24 CN disclosed
EP-3898574-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
EP-3169674-B1 ARYL-TRIAZOLYL-PYRIDINES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-01-20 EP disclosed
EP-3169674-B1 ARYL-TRIAZOLYL-PYRIDINES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-01-20 EP disclosed
WO-2020126819-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
CN-105873906-B Compound for controlling arthropods 拜耳作物科学股份公司 2019-07-16 CN disclosed
US-10208015-B2 Aryl-triazolyl pyridines as pest control agents BAYER ANIMAL HEALTH GMBH (DE) 2019-02-19 US disclosed
US-10208015-B2 Aryl-triazolyl pyridines as pest control agents BAYER ANIMAL HEALTH GMBH (DE) 2019-02-19 US disclosed
WO-2016008830-A1 ARYL-TRIAZOLYL PYRIDINES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
WO-2016008830-A1 ARYL-TRIAZOLYL PYRIDINES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
WO-2015067647-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067647-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067646-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067646-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC POLB 4507/4885CYP3A4 548/4885TSHR 673/4885
US-10208015-B2 Aryl-triazolyl pyridines as pest control agents PTMS, TYR, PDXK POLB 4872/4885CYP3A4 400/4885TSHR 442/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC POLB 4642/4885CYP3A4 772/4885TSHR 987/4885

“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.