SCHEMBL4230587

SCHEMBL4230587

OCc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
BCHE P06276 11/20 0.54
ACHE P22303 11/20 0.54
BACE1 P56817 11/20 0.54
SIGMAR1 Q99720 2/20 0.52
ROCK2 O75116 1/20 0.49
CCR3 P51677 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
SCN1A P35498 1/20 0.47
SCN8A Q9UQD0 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
SCHEMBL2278559 0.87 ACHE (0.67) KDM4EGAABCHEACHEBACE1
SCHEMBL4649037 0.87 ACHE (0.67) KDM4EGAABCHEACHEBACE1
SCHEMBL4225304 0.81 MCHR1 (0.54) KDM4EGAASIGMAR1DRD2DRD4
SCHEMBL2279311 0.81 KDM4E (0.66) KDM4EGAABCHEACHEBACE1
SCHEMBL4229449 0.80 SIGMAR1 (0.53) KDM4EGAABCHEACHEBACE1
SCHEMBL4229453 0.80 SIGMAR1 (0.53) KDM4EGAABCHEACHEBACE1
SCHEMBL13419693 0.78 KDM4E (0.74) KDM4EGAABCHEACHEBACE1
SCHEMBL13419300 0.77 GAA (0.72) KDM4EGAABCHEACHEBACE1
Hydrochloric Acid SCHEMBL4232700 0.77 CCR3 (0.54) KDM4EGAABCHEACHESIGMAR1
Hydrochloric Acid SCHEMBL4232697 0.77 CCR3 (0.54) KDM4EGAABCHEACHESIGMAR1

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 KDM4E 200/4885GAA 1351/4885BCHE 3123/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 KDM4E 195/4885GAA 1156/4885BCHE 3460/4885

“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.