SCHEMBL4222071

SCHEMBL4222071

COc1ccc(CN2CC[C@@H](Nc3ncc(C=CC(=O)NOC4CCCCO4)cc3Cl)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.42
ACHE P22303 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BCHE P06276 1/20 0.40
MCHR1 Q99705 3/20 0.40
CCR2 P41597 5/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 1/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL4222062 1.00 JAK1 (0.42) JAK1ACHEMAOAMAOBBCHE
SCHEMBL4218810 0.96 ACHE (0.43) JAK1ACHEMAOAMAOBBCHE
SCHEMBL4218821 0.96 ACHE (0.43) JAK1ACHEMAOAMAOBBCHE
SCHEMBL4229579 0.93 MAOA (0.38) ACHEMAOAMAOBMCHR1CCR2
SCHEMBL4229585 0.93 MAOA (0.38) ACHEMAOAMAOBMCHR1CCR2
SCHEMBL4228371 0.91 CCR3 (0.42) ACHEMAOAMAOBBCHEMCHR1
SCHEMBL4228366 0.91 CCR3 (0.42) ACHEMAOAMAOBBCHEMCHR1
SCHEMBL4217956 0.91 SCN1A (0.45) ACHEMAOAMAOBBCHEHDAC1
SCHEMBL4221283 0.91 SCN1A (0.45) ACHEMAOAMAOBBCHEHDAC1
SCHEMBL4221277 0.91 SCN1A (0.45) ACHEMAOAMAOBBCHEHDAC1

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 JAK1 3077/4885ACHE 4051/4885MAOA 823/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 JAK1 3296/4885ACHE 3895/4885MAOA 515/4885

“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.