SCHEMBL689268

SCHEMBL689268

O=C(O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.55
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 1/20 0.47
DHODH Q02127 1/20 0.45
BRD4 O60885 1/20 0.45
KDM4A O75164 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43

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
SCHEMBL1566041 0.92 PTGER2 (0.68) PTGER2ATMDHODH
SCHEMBL23758528 0.89 MAPT (0.47) PTGER2KDM4EATMCASP3SENP8
SCHEMBL690024 0.86 PTGER2 (0.59) PTGER2KDM4EMAPT
SCHEMBL689261 0.86 PTGER2 (0.59) PTGER2KDM4EMAPT
SCHEMBL6152705 0.84 ALDH1A1 (0.49) PTGER2KDM4EATMCASP3SENP8
SCHEMBL12971183 0.82 GSTP1 (0.56) PTGER2KDM4EDHODH
SCHEMBL20568185 0.79 ALDH1A1 (0.46) PTGER2KDM4EBRD4
SCHEMBL3344995 0.77 TUBB4A (0.53) KDM4EATMMAPT
SCHEMBL19946295 0.77 KDM4E (0.55) KDM4EATMCASP3SENP8SENP7
SCHEMBL19350175 0.77 KDM4E (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975158-B9 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2012-02-29 EP disclosed
EP-1975158-B1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2011-07-13 EP disclosed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US disclosed
US-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 US disclosed
EP-1975158-A1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO UNIBERSITATEA (ES) 2008-10-01 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 (1 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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity HDAC1, HDAC11, HDAC5 PTGER2 3332/4885KDM4E 63/4885ATM 3085/4885

“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.