SCHEMBL4334703

SCHEMBL4334703

O=Cc1ccc2c(c1)NC(=C(C(=O)c1ccccc1)C(=O)c1cc(F)cc(F)c1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.36
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KCNK3 O14649 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PLA2G7 Q13093 1/20 0.31
SNCA P37840 1/20 0.30
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
NR3C2 P08235 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4334695 1.00 UNG (0.36) UNGCES2CES1EGFRERBB2
SCHEMBL2947028 0.86 UNG (0.43) UNGCES2CES1EGFRKMT2A
SCHEMBL4323510 0.86 CES2 (0.46) CES2CES1KMT2AMEN1KCNK3
SCHEMBL4315249 0.84 CES2 (0.39) CES2CES1KMT2AMEN1NPC1
SCHEMBL4315245 0.84 CES2 (0.39) CES2CES1KMT2AMEN1NPC1
SCHEMBL4334552 0.82 CES2 (0.38) CES2CES1KMT2AMEN1KCNK3
SCHEMBL4334548 0.82 CES2 (0.38) CES2CES1KMT2AMEN1KCNK3
SCHEMBL4318712 0.81 CES2 (0.36) CES2CES1KMT2AMEN1NPC1
SCHEMBL4318711 0.81 CES2 (0.36) CES2CES1KMT2AMEN1NPC1
SCHEMBL2947404 0.80 CES2 (0.47) UNGCES2CES1KMT2AMEN1

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-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 US disclosed
EP-1300398-B1 PROPANE-1,3-DIONE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-04-05 EP disclosed
US-20050267110-A1 Propane-1, 3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-6960591-B2 Propane-1,3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20030191164-A1 Propane-1,3-dione derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
EP-1300398-A1 PROPANE-1,3-DIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-09 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-20030191164-A1 Propane-1,3-dione derivatives GNRHR, GPER1, FSHR UNG 4671/4885CES2 3350/4885CES1 2486/4885
US-20050267110-A1 Propane-1, 3-dione derivative GNRHR, GPER1, FSHR UNG 4669/4885CES2 3441/4885CES1 2593/4885

“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.