SCHEMBL4223071

SCHEMBL4223071

CCOC(=O)/C=C/c1cnc(N[C@@H]2CCN(C(=O)O)C2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.43
NOS1 P29475 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NOS3 P29474 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNK O75909 5/20 0.36
CDK12 Q9NYV4 5/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL4223081 1.00 NOS2 (0.43) NOS2NOS1L3MBTL1NPC1RAB9A
SCHEMBL4227488 0.94 NOS2 (0.47) NOS2NOS1L3MBTL1NPC1RAB9A
SCHEMBL4227481 0.94 NOS2 (0.47) NOS2NOS1L3MBTL1NPC1RAB9A
SCHEMBL4227254 0.89 L3MBTL1 (0.40) NOS2NOS1L3MBTL1NPC1RAB9A
SCHEMBL4227258 0.89 L3MBTL1 (0.40) NOS2NOS1L3MBTL1NPC1RAB9A
SCHEMBL4227848 0.84 JAK3 (0.38) CCNKCDK12
SCHEMBL4227861 0.84 JAK3 (0.38) CCNKCDK12
Acetic Acid SCHEMBL4227631 0.84 JAK3 (0.40) CCNKCDK12
Acetic Acid SCHEMBL4227622 0.84 JAK3 (0.40) CCNKCDK12
SCHEMBL4217292 0.83 NOS2 (0.42) NOS2NOS1L3MBTL1NPC1RAB9A

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 3471/4885L3MBTL1 979/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 NOS2 3815/4885NOS1 3647/4885L3MBTL1 1285/4885

“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.