SCHEMBL4220985

SCHEMBL4220985

O=C(O)/C=C/c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.57
SIGMAR1 Q99720 4/20 0.50
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CCR3 P51677 1/20 0.48
GPR183 P32249 1/20 0.47
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 1/20 0.47
BACE1 P56817 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
SCHEMBL4220994 1.00 PRKAA2 (0.57) PRKAA2SIGMAR1ACHEBCHEDRD2
SCHEMBL4217260 0.94 PRKAA2 (0.51) PRKAA2SIGMAR1ACHEBCHEDRD2
SCHEMBL4217265 0.94 PRKAA2 (0.51) PRKAA2SIGMAR1ACHEBCHEDRD2
SCHEMBL4223541 0.90 SIGMAR1 (0.61) PRKAA2SIGMAR1ACHEDRD2HTR2A
SCHEMBL4223535 0.90 SIGMAR1 (0.61) PRKAA2SIGMAR1ACHEDRD2HTR2A
Hydrochloric Acid SCHEMBL4231071 0.89 PRKAA2 (0.54) PRKAA2SIGMAR1ACHEBCHEDRD2
Hydrochloric Acid SCHEMBL4231076 0.89 PRKAA2 (0.54) PRKAA2SIGMAR1ACHEBCHEDRD2
SCHEMBL4223333 0.84 JAK2 (0.49) SIGMAR1ACHEBCHEDRD2HTR2A
SCHEMBL5196321 0.84 JAK2 (0.49) SIGMAR1ACHEBCHEDRD2HTR2A
SCHEMBL4223338 0.84 JAK2 (0.49) SIGMAR1ACHEBCHEDRD2HTR2A

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 PRKAA2 585/4885SIGMAR1 1585/4885ACHE 4051/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 PRKAA2 707/4885SIGMAR1 1514/4885ACHE 3895/4885

“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.