SCHEMBL2485381

SCHEMBL2485381

O=C(O)c1cccc2[nH]c3c(c12)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.60
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
PARP1 P09874 3/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
EGFR P00533 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
PBRM1 Q86U86 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL15069471 0.87 GFER (0.52) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL2486768 0.82 KDM4E (0.49) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL12050175 0.80 ALOX15 (0.48) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL17715018 0.80 PARP1 (0.50) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6755332 0.80 GFER (0.48) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL4029160 0.79 GFER (0.47) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6070313 0.78 HSD17B10 (0.55) GFERHSD17B10ALOX15MAPK1PARP1
SCHEMBL2804474 0.77 GFER (0.44) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL29415431 0.77 GFER (0.44) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL11843637 0.77 KDM4E (0.47) GFERHSD17B10ALOX15MAPK1CASP1

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-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E GFER 1647/4885HSD17B10 1204/4885ALOX15 527/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B GFER 1706/4885HSD17B10 1255/4885ALOX15 912/4885

“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.