SCHEMBL2942822

SCHEMBL2942822

CCOC(=O)C=Cc1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
BACE1 P56817 2/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL2942820 1.00 ALOX5 (0.48) ALOX5PTGS2MAPTMEN1KMT2A
SCHEMBL2946647 0.79 CES2 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL2944394 0.75 CES2 (0.41) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL2939960 0.74 CES2 (0.35) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL4323510 0.74 CES2 (0.46) MEN1KMT2A
SCHEMBL2947404 0.74 CES2 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2948439 0.74 CES2 (0.42) MAPTMEN1KMT2ASMN1; SMN2TTR
SCHEMBL2948442 0.74 CES2 (0.42) MAPTMEN1KMT2ASMN1; SMN2TTR
SCHEMBL24876 0.73 MEN1 (0.65) ALOX5MAPTMEN1KMT2AALDH1A1
SCHEMBL24877 0.73 MEN1 (0.65) ALOX5MAPTMEN1KMT2AALDH1A1

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
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 ALOX5 2521/4885PTGS2 508/4885MAPT 3205/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR ALOX5 3299/4885PTGS2 569/4885MAPT 3254/4885

“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.