SCHEMBL1950423

SCHEMBL1950423

CCc1[c]c(Br)c(-c2ccc(C#N)cc2)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
CYP2A6 P11509 1/20 0.31
PTPN5 P54829 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
SCHEMBL1951272 0.94 KIF11 (0.35) KIF11GRIA2GRIA4CYP2A6PTPN5
SCHEMBL17555010 0.87 KIF11 (0.34) KIF11GRIA2GRIA4CYP2A6
SCHEMBL1946686 0.86 KIF11 (0.33) KIF11GRIA2GRIA4CYP2A6
SCHEMBL17554841 0.86
SCHEMBL2105478 0.85 KIF11 (0.34) KIF11PTPN5
SCHEMBL1948774 0.85 KIF11 (0.35) KIF11
SCHEMBL17554984 0.85 HEXA (0.34)
SCHEMBL1948530 0.84 KIF11 (0.37) KIF11PTPN5
SCHEMBL1948335 0.82 KIF11 (0.35) KIF11
SCHEMBL1948371 0.82 KIF11 (0.38) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023179918-A1 MEANS FOR OXIDATIVELY DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE P-PHENYLENEDIAMINE TYPE, ISATIN AND AT LEAST ONE OXIDISING AGENT HENKEL AG & CO. KGAA (DE) 2023-09-28 WO disclosed
WO-2023179921-A1 MEANS FOR OXIDATIVELY DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE DEVELOPER TYPE, ISATIN AND AT LEAST ONE DETERMINED ALKALISING AGENT HENKEL AG & CO. KGAA (DE) 2023-09-28 WO disclosed
WO-2023179922-A1 AGENT FOR OXIDATIVE DYEING OF KERATIN FIBRES, CONTAINING ISATIN AND AT LEAST ONE DEFINED POLYMER HENKEL AG & CO. KGAA (DE) 2023-09-28 WO disclosed
WO-2023179919-A1 AGENT FOR OXIDATIVELY DYEING KERATIN FIBERS, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE DEVELOPER TYPE, AT LEAST ONE OXIDATION DYE PRECURSOR OF THE COUPLER TYPE AND ISATIN HENKEL AG & CO. KGAA (DE) 2023-09-28 WO disclosed
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
EP-2906191-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 EP disclosed
US-9084420-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2015-07-21 US disclosed
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO, INC. (JP) 2014-04-17 US disclosed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 WO disclosed
US-8633228-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2014-01-21 US disclosed
US-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD Mitsui Chemicals Agro., Inc. (JP) 2011-06-09 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 (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-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 KIF11 2089/4885GRIA2 3689/4885GRIA4 3559/4885
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 KIF11 2089/4885GRIA2 3689/4885GRIA4 3559/4885

“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.