SCHEMBL14993477

SCHEMBL14993477

COC1=C(c2c(C)cc(Br)cc2C)C(=O)/C(=C/c2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ IKBKB O14920 4/20 0.43
▸ PRKAG1 P54619 4/20 0.43
▸ PRKAA1 Q13131 4/20 0.43
▸ NEK1 Q96PY6 4/20 0.43
▸ PRKAB1 Q9Y478 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAF1 P04049 3/20 0.43
▸ RPS6KB1 P23443 3/20 0.43
▸ AKT1 P31749 3/20 0.43
▸ AKT2 P31751 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ MAPKAPK2 P49137 3/20 0.43
▸ MAP2K1 Q02750 3/20 0.43
▸ XBP1 P17861 3/20 0.43

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
SCHEMBL14993478 1.00 NPC1 (0.46) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL14993363 0.89 NPC1 (0.44) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL14993361 0.89 NPC1 (0.44) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL430812 0.76 IDH1 (0.40) NPC1RAB9AMEN1KMT2AHSP90AA1
SCHEMBL15001124 0.74 PPARG (0.33) NPSR1
SCHEMBL428616 0.69 MAPT (0.46) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL15821824 0.69 DRD4 (0.33) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL6295643 0.68 MEN1 (0.71) NPC1RAB9AMEN1KMT2AMIF
SCHEMBL14992682 0.67 PDE4D (0.45) NPC1RAB9AKMT2AMAPTIKBKB
SCHEMBL14993222 0.66 TP53 (0.44) ALDH1A1KDM4E

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 11 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
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-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US 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
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — 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
EP-2785181-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF Syngenta Limited (GB) 2014-10-08 — — EP disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — WO disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — 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-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF CNPY2, CBR3, CBR1 NPC1 3388/4885RAB9A 1405/4885MEN1 2295/4885

“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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