SCHEMBL4229725

SCHEMBL4229725

O=C(C=Cc1cnc(N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cn1)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC6 Q9UBN7 2/20 0.52
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
TEAD1 P28347 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ROCK2 O75116 4/20 0.43
CCR2 P41597 4/20 0.43
ROCK1 Q13464 2/20 0.43
BCHE P06276 2/20 0.41

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
SCHEMBL4229714 1.00 HDAC8 (0.52) HDAC8HDAC1HDAC6JAK2JAK1
Hydrochloric Acid SCHEMBL4227365 0.99 HDAC8 (0.51) HDAC8HDAC1HDAC6JAK2JAK1
Hydrochloric Acid SCHEMBL4227354 0.99 HDAC8 (0.51) HDAC8HDAC1HDAC6JAK2JAK1
Acetic Acid SCHEMBL4218785 0.96 HDAC1 (0.48) HDAC8HDAC1HDAC6JAK2JAK1
Acetic Acid SCHEMBL4218775 0.96 HDAC1 (0.48) HDAC8HDAC1HDAC6JAK2JAK1
Hydrochloric Acid SCHEMBL4222081 0.94 HDAC1 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL4222072 0.94 HDAC1 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1707856 0.93 HDAC1 (0.45) HDAC8HDAC1HDAC6JAK2JAK1
SCHEMBL1707854 0.93 HDAC1 (0.45) HDAC8HDAC1HDAC6JAK2JAK1
Hydrochloric Acid SCHEMBL1708450 0.92 HDAC1 (0.45) HDAC8HDAC1HDAC6JAK2JAK1

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 HDAC8 5/4885HDAC1 1/4885HDAC6 12/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HDAC8 3/4885HDAC1 1/4885HDAC6 11/4885

“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.