SCHEMBL4229449

SCHEMBL4229449

O=C(O)/C=C/c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
DRD2 P14416 3/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
CCR3 P51677 1/20 0.50
DRD4 P21917 2/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 1/20 0.46
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL4229453 1.00 SIGMAR1 (0.53) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4232697 0.91 CCR3 (0.54) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4232700 0.91 CCR3 (0.54) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4222248 0.84 SIGMAR1 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4222255 0.84 SIGMAR1 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4222806 0.83 HTR2A (0.62) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4222813 0.83 HTR2A (0.62) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4219442 0.82 CCR3 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4219454 0.82 CCR3 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2278559 0.81 ACHE (0.67) SIGMAR1DRD2KDM4EGAACCR3

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 SIGMAR1 1585/4885DRD2 1798/4885HTR2A 621/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIGMAR1 1514/4885DRD2 1314/4885HTR2A 436/4885

“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.