SCHEMBL4223498

SCHEMBL4223498

O=C(C=Cc1cnc(NC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
CCR3 P51677 2/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A1 P11166 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
EHMT1 Q9H9B1 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL4223490 1.00 MCHR1 (0.41) MCHR1CCR3ACHEBCHEMAOA
SCHEMBL4228366 0.96 CCR3 (0.42) MCHR1CCR3ACHEBCHEMAOA
SCHEMBL4228371 0.96 CCR3 (0.42) MCHR1CCR3ACHEBCHEMAOA
SCHEMBL4226356 0.94 MCHR1 (0.47) MCHR1ACHEBCHESLC2A1HDAC1
SCHEMBL4226363 0.94 MCHR1 (0.47) MCHR1ACHEBCHESLC2A1HDAC1
SCHEMBL4223902 0.93 ACHE (0.42) MCHR1CCR3ACHEBCHEMAOA
SCHEMBL4223890 0.93 ACHE (0.42) MCHR1CCR3ACHEBCHEMAOA
SCHEMBL4222444 0.93 MCHR1 (0.41) MCHR1ACHEMAOAMAOBSLC2A1
SCHEMBL4222452 0.93 MCHR1 (0.41) MCHR1ACHEMAOAMAOBSLC2A1
SCHEMBL4231670 0.92 HTR2A (0.45) ACHEBCHEMAOAMAOBHDAC1

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 MCHR1 997/4885CCR3 3068/4885ACHE 4051/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 MCHR1 1149/4885CCR3 3156/4885ACHE 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.