SCHEMBL4227258

SCHEMBL4227258

CCOC(=O)C=Cc1cnc(N[C@@H]2CCN(C(=O)O)C2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PIK3CD O00329 4/20 0.40
PIK3R1 P27986 1/20 0.40
NOS2 P35228 5/20 0.39
NOS1 P29475 4/20 0.39
MC4R P32245 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
EGFR P00533 2/20 0.38
ITK Q08881 1/20 0.38
NOS3 P29474 2/20 0.38
PIK3CA P42336 3/20 0.38
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BTK Q06187 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
SCHEMBL4227254 1.00 L3MBTL1 (0.40) L3MBTL1PIK3CDPIK3R1NOS2NOS1
SCHEMBL4223081 0.89 NOS2 (0.43) L3MBTL1PIK3CDPIK3R1NOS2NOS1
SCHEMBL4223071 0.89 NOS2 (0.43) L3MBTL1PIK3CDPIK3R1NOS2NOS1
SCHEMBL4227481 0.83 NOS2 (0.47) L3MBTL1NOS2NOS1NOS3SMN1; SMN2
SCHEMBL4227488 0.83 NOS2 (0.47) L3MBTL1NOS2NOS1NOS3SMN1; SMN2
SCHEMBL4218968 0.82 NOS2 (0.47) L3MBTL1NOS2NOS1NOS3SMN1; SMN2
SCHEMBL4218960 0.82 NOS2 (0.47) L3MBTL1NOS2NOS1NOS3SMN1; SMN2
SCHEMBL4222379 0.79 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4222385 0.79 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4217135 0.77 PIK3CD (0.44) PIK3CDPIK3R1EGFRITKPIK3CA

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 L3MBTL1 979/4885PIK3CD 2243/4885PIK3R1 233/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 L3MBTL1 1285/4885PIK3CD 1789/4885PIK3R1 205/4885

“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.