SCHEMBL4233333

SCHEMBL4233333

CCOC(=O)/C=C/c1ccc(NC2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.51
NOS1 P29475 4/20 0.49
NOS3 P29474 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAP4K4 O95819 1/20 0.46
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL4233336 1.00 NOS2 (0.51) NOS2NOS1NOS3L3MBTL1MAP4K4
SCHEMBL4218968 0.94 NOS2 (0.47) NOS2NOS1NOS3L3MBTL1MAP4K4
SCHEMBL4218960 0.94 NOS2 (0.47) NOS2NOS1NOS3L3MBTL1MAP4K4
SCHEMBL4222040 0.88 HTT (0.43) NOS2L3MBTL1CA12CA1CA2
SCHEMBL4222032 0.88 HTT (0.43) NOS2L3MBTL1CA12CA1CA2
SCHEMBL4217550 0.87 NOS2 (0.52) NOS2NOS1NOS3L3MBTL1MAP4K4
SCHEMBL4227329 0.87 NOS2 (0.52) NOS2NOS1NOS3L3MBTL1MAP4K4
Hydrochloric Acid SCHEMBL28763502 0.84 CA12 (0.47) NOS2NOS1NOS3MAPTCA12
Hydrochloric Acid SCHEMBL28763503 0.84 CA12 (0.47) NOS2NOS1NOS3MAPTCA12
SCHEMBL4227481 0.82 NOS2 (0.47) NOS2NOS1NOS3L3MBTL1HSD17B10

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 NOS2 3761/4885NOS1 3471/4885NOS3 4122/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 NOS2 3815/4885NOS1 3647/4885NOS3 4184/4885

“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.