SCHEMBL16206279

SCHEMBL16206279

Cc1cc(-c2ccc(F)c(Cl)c2)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ GRIN1 Q05586 5/20 0.38
▸ GRIN2B Q13224 5/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ IKBKB O14920 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ NEK1 Q96PY6 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL16204000 0.91 KDM4E (0.39) GRIN1GRIN2BNPC1CYP1A2CYP2C19
SCHEMBL429938 0.87 GRIN1 (0.37) GRIN1GRIN2BNPC1IKBKBPRKAG1
SCHEMBL427482 0.86 IKBKB (0.39) NPC1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL430421 0.85 KDM4E (0.39) GRIN1GRIN2BNPC1IKBKBPRKAG1
SCHEMBL428531 0.85 IKBKB (0.38) POLBGRIN1GRIN2BNPC1IKBKB
SCHEMBL427477 0.84 IKBKB (0.39) GRIN1GRIN2BCYP1A2IKBKBPRKAG1
SCHEMBL19139642 0.82 GRM2 (0.38) GRM2PGRHTR2A
SCHEMBL427443 0.81 IKBKB (0.40) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL17617257 0.81 KMT2A (0.39) GRM4
SCHEMBL15001746 0.80 RAB9A (0.39) NPC1IKBKBPRKAG1PRKAA1NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US disclosed
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — 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-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF CNPY2, CBR3, CBR1 POLB 3600/4885GRIN1 829/4885GRIN2B 2247/4885

“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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