SCHEMBL4222650

SCHEMBL4222650

O=Cc1ccc(NC2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.49
NOS2 P35228 6/20 0.43
JAK3 P52333 4/20 0.42
NOS1 P29475 5/20 0.42
NOS3 P29474 3/20 0.42
CCNK O75909 4/20 0.40
CDK12 Q9NYV4 4/20 0.40
MAP4K4 O95819 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
SCHEMBL4226641 0.92 CCNK (0.45) HCAR3NOS2JAK3CCNKCDK12
SCHEMBL4228358 0.84 FAAH (0.50)
SCHEMBL29955212 0.84 HCAR3 (0.56) HCAR3CCNKCDK12
SCHEMBL4226272 0.82 NOS3 (0.57) NOS2NOS1NOS3CCNKCDK12
SCHEMBL4229356 0.81 HCAR3 (0.48) HCAR3NOS2JAK3NOS1NOS3
SCHEMBL1460502 0.81 CCR6 (0.54) HCAR3NOS2NOS1NOS3CCNK
SCHEMBL4227761 0.80 ACHE (0.57)
SCHEMBL4233333 0.79 NOS2 (0.51) NOS2NOS1NOS3MAP4K4
SCHEMBL4233336 0.79 NOS2 (0.51) NOS2NOS1NOS3MAP4K4
SCHEMBL21853948 0.77 CCNK (0.61) CCNKCDK12

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 HCAR3 137/4885NOS2 3761/4885JAK3 4112/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HCAR3 148/4885NOS2 3815/4885JAK3 4148/4885

“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.