SCHEMBL415598

SCHEMBL415598

Fc1cc(Br)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DGAT1 O75907 1/20 0.38
KDM1A O60341 5/20 0.36
KDM1B Q8NB78 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 5/20 0.33
NPC1 O15118 3/20 0.31
LMNA P02545 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
PYCR1 P32322 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL5361521 0.83 CYP11B1 (0.39) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL28558021 0.83 KDM1A (0.37) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL56867 0.82 CYP11B2 (0.53) CYP11B1CYP11B2DGAT1KDM1AKIF11
SCHEMBL29514712 0.82 CYP11B2 (0.53) CYP11B1CYP11B2DGAT1KDM1AKIF11
SCHEMBL15744302 0.82 DGAT1 (0.41) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL12185142 0.79 CYP11B1 (0.37) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL18285726 0.78 CYP11B1 (0.39) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL29988758 0.78 CYP11B1 (0.39) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL2636866 0.78 HSD11B1 (0.42) CYP11B1CYP11B2DGAT1KDM1AKDM1B
SCHEMBL4468448 0.76 DGAT1 (0.39) CYP11B1CYP11B2DGAT1KDM1AKDM1B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US disclosed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP disclosed
EP-3284739-A1 SUBSTITUTED (HET) ARYL COMPOUNDS AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-02-21 EP disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
EP-2595955-B1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-11-30 EP disclosed
EP-2595963-B1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2014-11-12 EP disclosed
US-8603947-B2 (4-haloalkyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-8536097-B2 4-(4-haloalkyl-3-thiobenzoyl)pyrazoles and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
EP-2595963-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
EP-2595955-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010573-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
WO-2012010575-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE CYP11B1 697/4885CYP11B2 1062/4885DGAT1 4602/4885
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 CYP11B1 687/4885CYP11B2 880/4885DGAT1 755/4885
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES CBR3, CYP4X1, PRDX4 CYP11B1 690/4885CYP11B2 879/4885DGAT1 1904/4885

“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.