SCHEMBL428531

SCHEMBL428531

Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

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
▸ ESR1 P03372 2/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ PTGFR P43088 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL430421 0.93 KDM4E (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL429938 0.91 GRIN1 (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427443 0.90 IKBKB (0.40) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL16204000 0.87 KDM4E (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427482 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427477 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL430745 0.87 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427461 0.87 IKBKB (0.41) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL428740 0.87 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427534 0.86 IKBKB (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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