SCHEMBL4221283

SCHEMBL4221283

O=C(C=Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.45
SCN8A Q9UQD0 2/20 0.45
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CCR3 P51677 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4217956 1.00 SCN1A (0.45) SCN1ASCN8ADRD2HTR2AHTR2C
SCHEMBL4217947 1.00 SCN1A (0.45) SCN1ASCN8ADRD2HTR2AHTR2C
SCHEMBL4221277 1.00 SCN1A (0.45) SCN1ASCN8ADRD2HTR2AHTR2C
SCHEMBL4231673 0.95 HTR2A (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4231670 0.95 HTR2A (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4221070 0.94 SCN8A (0.40) SCN1ASCN8AMAOAMAOBBCHE
SCHEMBL4221078 0.94 SCN8A (0.40) SCN1ASCN8AMAOAMAOBBCHE
SCHEMBL4221533 0.93 CCR3 (0.42) SCN1ASCN8ADRD2SIGMAR1MAOA
SCHEMBL4221524 0.93 CCR3 (0.42) SCN1ASCN8ADRD2SIGMAR1MAOA
SCHEMBL4228371 0.93 CCR3 (0.42) SCN1ASCN8ADRD2HTR2CHTR2B

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 4 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US 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 SCN1A 1924/4885SCN8A 2442/4885DRD2 1798/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SCN1A 2419/4885SCN8A 2921/4885DRD2 1314/4885

“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.