SCHEMBL24786607

SCHEMBL24786607

COc1cc(Oc2cccc(C#N)c2CCCCC(F)(F)F)ncn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ AR P10275 9/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ NR3C1 P04150 2/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL29808506 0.84 KDR (0.36) KDRMAPK14TNNI3KALDH1A1
SCHEMBL23247716 0.84 KDR (0.36) KDRMAPK14TNNI3KALDH1A1
SCHEMBL18284622 0.83 AR (0.42) SCN9AARNR3C1NR3C2PGR
SCHEMBL26714156 0.76 POLB (0.54) ARACHEALDH1A1MAP4K4POLB
SCHEMBL29551260 0.75 CYP1A2 (0.37) SCN9AARCNR2MEN1CNR1
SCHEMBL18284593 0.75 CYP1A2 (0.37) SCN9AARCNR2MEN1CNR1
SCHEMBL23370441 0.71 NPC1 (0.35) KDRMAPK14TNNI3KMEN1KMT2A
SCHEMBL23247810 0.70 KDR (0.39) SCN9AARACHEKDRMAPK14
SCHEMBL24507690 0.69 MAP4K4 (0.56) ARACHEKDRMAPK14MAP4K4
SCHEMBL23370326 0.69 ADORA2A (0.35) KDRMAPK14TNNI3KALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220400676-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-22 — — 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 (1 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-20220400676-A1 HERBICIDAL COMPOUNDS DDT, NQO2, CBR3 SCN9A 924/4885AR 4346/4885ACHE 58/4885

“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.

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