SCHEMBL2941450

SCHEMBL2941450

COC1(C)OCC(c2cccc(C(=O)C(C(=O)c3cccc(F)c3)=C3Nc4ccccc4N3)c2)O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PARP1 P09874 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 2/20 0.30
LMNA P02545 2/20 0.30
PKM P14618 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGR P06401 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2946343 0.89 L3MBTL1 (0.37) L3MBTL1CES2CES1PARP1ALDH1A1
SCHEMBL2945490 0.80 L3MBTL1 (0.36) L3MBTL1CES2CES1PARP1ALDH1A1
SCHEMBL13239938 0.78 PARP1 (0.37) L3MBTL1PARP1
SCHEMBL2949928 0.78 CES2 (0.38) L3MBTL1CES2CES1PARP1ALDH1A1
SCHEMBL2948704 0.77 L3MBTL1 (0.36) L3MBTL1CES2CES1PARP1LMNA
SCHEMBL2944411 0.73 PARP1 (0.33) L3MBTL1CES2CES1PARP1
SCHEMBL2946350 0.70 ALDH1A1 (0.37) CES2CES1PARP1ALDH1A1NPC1
SCHEMBL2947404 0.70 CES2 (0.47) L3MBTL1CES2CES1PARP1POLB
SCHEMBL2942841 0.69 MAOB (0.46) CES2CES1POLBALDH1A1RAB9A
SCHEMBL2944394 0.68 CES2 (0.41) CES2CES1PARP1ALDH1A1SMN1; SMN2

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
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US claimed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US claimed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US claimed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP claimed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 EP claimed
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 EP 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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR L3MBTL1 3232/4885CES2 4083/4885CES1 1983/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR L3MBTL1 3155/4885CES2 4228/4885CES1 2243/4885

“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.