SCHEMBL855006

SCHEMBL855006

FC(F)(F)c1cc(Br)cc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.38
HPGD P15428 3/20 0.37
KDM5B Q9UGL1 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 3/20 0.35
CA2 P00918 1/20 0.34
CHKA P35790 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL16192462 0.87 NT5E (0.43) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL4429332 0.84 HSP90AA1 (0.53) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL30329198 0.84 HSP90AA1 (0.53) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL29383511 0.79 NT5E (0.38) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL16634931 0.79 KDM4E (0.40) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL28664997 0.79 NT5E (0.38) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL31039307 0.79 NT5E (0.38) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL3101735 0.79 NT5E (0.38) NT5EKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL2395464 0.77 ALDH1A1 (0.43) NT5EKDM4EALDH1A1GAAHPGD
SCHEMBL22321641 0.74 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991669-B Fluorine-containing tag for protein cysteine residue modification and application thereof 中国科学院精密测量科学与技术创新研究院 2025-04-01 CN disclosed
CN-115991669-A Fluorine-containing tag for protein cysteine residue modification and application thereof 中国科学院精密测量科学与技术创新研究院 2023-04-21 CN disclosed
EP-2676963-B1 NOVEL COMPOUND, NOVEL LIGAND, NOVEL TRANSITION METAL COMPLEXES, AND CATALYSTS CONSISTING OF NOVEL TRANSITION METAL COMPLEXES UNIV OKAYAMA NAT UNIV CORP (JP) 2016-08-24 EP disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
US-8779133-B2 Compound, novel ligand, novel transition metal complex, and catalyst including novel transition metal complex NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
US-5719169-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0640593-B1 Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them HOECHST AG (DE) 1997-12-29 EP disclosed
EP-0640593-A1 Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 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 (2 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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NT5E 4255/4885KDM4E 306/4885ALDH1A1 121/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NT5E 4255/4885KDM4E 306/4885ALDH1A1 121/4885

“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.