SCHEMBL4228371

SCHEMBL4228371

O=C(C=Cc1cnc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.42
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
ACHE P22303 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.38
KAT2B Q92831 1/20 0.37
MCHR1 Q99705 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ROCK2 O75116 2/20 0.36
CCR2 P41597 2/20 0.36
ROCK1 Q13464 2/20 0.36
SLC2A1 P11166 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35

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
SCHEMBL4228366 1.00 CCR3 (0.42) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4223490 0.96 MCHR1 (0.41) CCR3ACHEMAOAMAOBBCHE
SCHEMBL4223498 0.96 MCHR1 (0.41) CCR3ACHEMAOAMAOBBCHE
SCHEMBL4221524 0.93 CCR3 (0.42) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4221533 0.93 CCR3 (0.42) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4229579 0.93 MAOA (0.38) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4229585 0.93 MAOA (0.38) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4221283 0.93 SCN1A (0.45) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4217956 0.93 SCN1A (0.45) CCR3SCN1ASCN8AACHEMAOA
SCHEMBL4221277 0.93 SCN1A (0.45) CCR3SCN1ASCN8AACHEMAOA

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 CCR3 3068/4885SCN1A 1924/4885SCN8A 2442/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCR3 3156/4885SCN1A 2419/4885SCN8A 2921/4885

“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.