SCHEMBL4227647

SCHEMBL4227647

COC(=O)c1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.58
ALDH1A1 P00352 1/20 0.54
FAAH O00519 2/20 0.48
NAMPT P43490 1/20 0.48
HCAR3 P49019 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
GRIN2B Q13224 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL4228358 0.80 FAAH (0.50) ALDH1A1FAAHKDM4E
SCHEMBL4223312 0.80 FAAH (0.53) ALDH1A1FAAHKDM4E
SCHEMBL4231953 0.79 PRKAA2 (0.58) ALDH1A1KDM4E
SCHEMBL4226344 0.78 ALDH1A1 (0.57) ALDH1A1HCAR3THRB
SCHEMBL4232130 0.78 NOS1 (0.66) NOS3NOS1NOS2
SCHEMBL4217982 0.77 PRKAA2 (0.53) KDM4E
SCHEMBL4219456 0.77 PRKAA2 (0.53) KDM4E
SCHEMBL4223188 0.77 FAAH (0.48) ALDH1A1FAAHKDM4E
SCHEMBL4217960 0.77 PRKAA2 (0.53) KDM4E
SCHEMBL4223185 0.77 FAAH (0.48) ALDH1A1FAAHKDM4E

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 P2RY12 4728/4885ALDH1A1 1014/4885FAAH 333/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 P2RY12 4581/4885ALDH1A1 739/4885FAAH 288/4885

“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.