SCHEMBL430728

SCHEMBL430728

Cc1cc(C)c(C2C(=O)CC(=Cc3cccn3S(C)(=O)=O)C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 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
SCHEMBL430379 0.84 MAPT (0.47) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL430724 0.71 MAPT (0.46) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL430381 0.71 MAPT (0.48) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL464644 0.71 MAPT (0.48) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL428614 0.70 MAPT (0.43) ALDH1A1MAPTKDM4ELMNARAB9A
SCHEMBL10280041 0.70 MAPT (0.43) ALDH1A1MAPTKDM4ELMNARAB9A
SCHEMBL429924 0.70 KDM4E (0.33) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL430400 0.70 ALDH1A1 (0.37) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL427436 0.69 MAOB (0.42) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL429866 0.69 MAPT (0.47) MEN1ALDH1A1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997824-A1 NOVEL HERBICIDES Syngenta Participations AG. (CH) 2016-03-23 — — EP disclosed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 — — EP disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — US disclosed
US-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — 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-20120065064-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP4X1 MEN1 4108/4885ALDH1A1 10/4885MAPT 3792/4885

“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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