SCHEMBL427534

SCHEMBL427534

CCc1cc(C)c(C2C(=O)CC(Cc3ccccn3)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.38
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ NEK1 Q96PY6 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ PDE4D Q08499 1/20 0.36
▸ LMNA P02545 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 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
SCHEMBL427443 0.90 IKBKB (0.40) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427482 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL430745 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427477 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427461 0.87 IKBKB (0.41) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL428531 0.86 IKBKB (0.38) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL428740 0.84 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427518 0.84 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL430421 0.84 KDM4E (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427531 0.84 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1

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 7 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
WO-2010069834-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — 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 (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 IKBKB 4311/4885PRKAG1 3397/4885PRKAA1 3503/4885

“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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