SCHEMBL647590

SCHEMBL647590

CN(CC#CC(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MLYCD O95822 10/20 0.51
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ALOX5 P09917 2/20 0.40

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
SCHEMBL10044266 0.85 KMT2A (0.57) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL13894950 0.77 KMT2A (0.60) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL3588750 0.75 PYCR1 (0.50) KMT2AMLYCDMAOAMAOB
SCHEMBL7374914 0.73 KMT2A (0.72) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL14219225 0.71 KMT2A (0.74) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL4064581 0.71 KMT2A (1.00) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL24734307 0.70 KMT2A (0.68) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL11608992 0.69 KMT2A (0.66) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL8728564 0.69 KMT2A (0.60) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL3366949 0.69 KMT2A (0.70) KMT2AMLYCDMEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 — — US claimed
JP-2004527475-A — — 2004-09-09 — — JP claimed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 — — US claimed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 — — EP claimed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 — — WO claimed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 — — US disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 — — US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 — — US disclosed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 — — EP disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 — — WO disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 — — WO disclosed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 — — 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 (2 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA KMT2A 1243/4885MLYCD 1/4885MEN1 1149/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA KMT2A 1243/4885MLYCD 1/4885MEN1 1149/4885

“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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