SCHEMBL5492977

SCHEMBL5492977

COc1cc(N)c(C(=O)c2ccccc2)cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
LMNA P02545 5/20 0.77
HPGD P15428 3/20 0.77
KDM4E B2RXH2 3/20 0.77
HSD17B10 Q99714 2/20 0.77
CYP3A4 P08684 1/20 0.77
RECQL P46063 1/20 0.77
MAPK1 P28482 2/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
PGR P06401 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
HRH1 P35367 1/20 0.55

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
SCHEMBL4707952 0.89 MAPT (0.59) MAPTLMNAHPGDKDM4EHSD17B10
Cearoin SCHEMBL29874650 0.87 MAPT (1.00) MAPTLMNAHPGDKDM4EHSD17B10
Cearoin SCHEMBL4928735 0.87 MAPT (1.00) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL12082118 0.84 MAPT (0.77) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL27946121 0.84 MAPT (0.88) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL4851027 0.83 MAPT (0.54) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL28332826 0.83 MAPT (0.75) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL28335024 0.83 MAPT (0.66) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL5972407 0.82 LMNA (0.57) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL12082139 0.82 MAPT (0.73) MAPTLMNAHPGDKDM4EHSD17B10

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-2305633-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2011-04-06 EP disclosed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 WO 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A MAPT 4388/4885LMNA 1410/4885HPGD 103/4885

“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.