SCHEMBL4183063

SCHEMBL4183063

Nc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
SLC1A5 Q15758 2/20 0.31
PGK1 P00558 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31

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
SCHEMBL13515990 0.92 CYP1A2 (0.31) CYP3A4CYP1A2CYP2C19MRGPRX4
SCHEMBL13516494 0.92 CYP1A2 (0.31) CYP3A4CYP1A2CYP2C19MRGPRX4
SCHEMBL299601 0.81 ALDH1A1 (0.46) CYP3A4CYP1A2CYP2C19MRGPRX4ALDH1A1
SCHEMBL21614495 0.81 PGK1 (0.35) CYP3A4CYP1A2CYP2C19SLC1A5PGK1
SCHEMBL13508303 0.81 POLB (0.35) CYP3A4ALDH1A1POLB
SCHEMBL1000004 0.80 CYP1A2 (0.31) CYP3A4CYP1A2CYP2C19MRGPRX4
SCHEMBL1274350 0.79 GAA (0.30)
SCHEMBL9895270 0.79
SCHEMBL16702806 0.79 SLC1A5 (0.34) SLC1A5PGK1GRIA1CACNG8
SCHEMBL16703480 0.76 SLC22A12 (0.34) GRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048847-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 US disclosed
EP-3898574-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
US-20210276958-A1 METHOD FOR PRODUCING SUBSTITUTED N-ARYL PYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-10981888-B2 Preparation method for tricyclic compounds BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
EP-3802496-A1 METHOD FOR PRODUCING SUBSTITUTED N-ARYL PYRAZOLES Bayer Aktiengesellschaft (DE) 2021-04-14 EP disclosed
WO-2020126819-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-20190315707-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-17 US disclosed
EP-3551616-A1 METHOD FOR PRODUCING 5-(1-PHENYL-1H-PYRAZOLE-4-YL)-NICOTINAMIDE DERIVATIVES AND SIMILAR COMPOUNDS WITHOUT ISOLATING OR PURIFYING THE PHENYLHYDRAZINE INTERMEDIATE Bayer CropScience Aktiengesellschaft (DE) 2019-10-16 EP disclosed
US-10150737-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-12-11 US disclosed
WO-2018104214-A1 METHOD FOR PRODUCING 5-(1-PHENYL-1H-PYRAZOLE-4-YL)-NICOTINAMIDE DERIVATIVES AND SIMILAR COMPOUNDS WITHOUT ISOLATING OR PURIFYING THE PHENYLHYDRAZINE INTERMEDIATE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-14 WO disclosed
EP-3066080-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP disclosed
EP-3066079-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP 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-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
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 EP 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 (8 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 CYP3A4 548/4885CYP1A2 309/4885CYP2C19 537/4885
US-10981888-B2 Preparation method for tricyclic compounds CYP4B1, CYP3A4, CYP1A1 CYP3A4 2/4885CYP1A2 5/4885CYP2C19 12/4885
US-20190315707-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUNDS CYP4B1, CYP3A4, CYP1A1 CYP3A4 2/4885CYP1A2 5/4885CYP2C19 12/4885
US-20220048847-A1 PROCESS FOR PREPARING SUBSTITUTED ANILINES CYP1A2, CYP1A1, CYP1B1 CYP3A4 4/4885CYP1A2 1/4885CYP2C19 9/4885
US-20210276958-A1 METHOD FOR PRODUCING SUBSTITUTED N-ARYL PYRAZOLES CYP4B1, CYP1B1, CYP1A2 CYP3A4 4/4885CYP1A2 3/4885CYP2C19 11/4885
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide CYP2E1, GSTA1, CYP2S1 CYP3A4 19/4885CYP1A2 6/4885CYP2C19 141/4885
US-10150737-B2 Compounds for controlling arthropods SERPINB6, CYP4X1, C1S CYP3A4 194/4885CYP1A2 114/4885CYP2C19 734/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CYP3A4 772/4885CYP1A2 338/4885CYP2C19 472/4885

“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.