SCHEMBL4229752

SCHEMBL4229752

Cc1ccc(Nc2ccc(CO)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GRM5 P41594 2/20 0.47
CNR2 P34972 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
PDE10A Q9Y233 3/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL9074229 0.83 HCAR3 (0.56) MAPTGRM5CNR2RAB9AALDH1A1
SCHEMBL11563207 0.80 HAO1 (0.53) MAPTGRM5HAO1PDE10ARAB9A
SCHEMBL14409688 0.78 HPGD (0.54) MAPTRAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL1570177 0.74 HCAR3 (0.48) MAPTRAB9A
SCHEMBL2485845 0.74 RAB9A (0.50) MAPTGRM5HAO1PDE10ARAB9A
SCHEMBL3245214 0.74 HAO1 (0.47) MAPTGRM5HAO1RAB9AALDH1A1
SCHEMBL28406121 0.74 MEN1 (0.51) MAPTGRM5HAO1PDE10ARAB9A
SCHEMBL29408373 0.74 MEN1 (0.51) MAPTGRM5HAO1PDE10ARAB9A
SCHEMBL4222471 0.73 KDM4E (0.50) MAPTGRM5HAO1PDE10ARAB9A
SCHEMBL24867309 0.73 ACACB (0.44) MAPTGRM5CNR2HAO1PDE10A

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
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 MAPT 3316/4885GRM5 693/4885CNR2 946/4885

“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.