SCHEMBL4229465

SCHEMBL4229465

COc1ccc(C(=O)N2CCC(Nc3ccc(/C=C/C(=O)O)cn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.55
NOS1 P29475 4/20 0.55
NOS2 P35228 4/20 0.55
NOS3 P29474 2/20 0.55
KCNH2 Q12809 1/20 0.51
GAA P10253 1/20 0.50
SYK P43405 1/20 0.49
GRM5 P41594 1/20 0.48
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
EPHX2 P34913 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL4229472 1.00 GPR183 (0.55) GPR183NOS1NOS2NOS3KCNH2
Hydrochloric Acid SCHEMBL4215147 0.90 GPR183 (0.55) GPR183NOS1NOS2NOS3KCNH2
Hydrochloric Acid SCHEMBL4215156 0.90 GPR183 (0.55) GPR183NOS1NOS2NOS3KCNH2
SCHEMBL4219134 0.89 CCNK (0.52) GPR183NOS1NOS2NOS3SYK
SCHEMBL4219143 0.89 CCNK (0.52) GPR183NOS1NOS2NOS3SYK
SCHEMBL4222269 0.88 NOS3 (0.53) GPR183NOS1NOS2NOS3SYK
SCHEMBL4222260 0.88 NOS3 (0.53) GPR183NOS1NOS2NOS3SYK
SCHEMBL4223767 0.87 PRKAA2 (0.52) NOS1NOS2NOS3GAAGRM5
SCHEMBL4223760 0.87 PRKAA2 (0.52) NOS1NOS2NOS3GAAGRM5
SCHEMBL4218980 0.87 NOS3 (0.53) GPR183NOS1NOS2NOS3GRM5

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-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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 GPR183 1711/4885NOS1 3471/4885NOS2 3761/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 GPR183 2102/4885NOS1 3647/4885NOS2 3815/4885

“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.