SCHEMBL4221845

SCHEMBL4221845

O=C(O)N1CCC[C@@H](Nc2ncc(CO)cc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.42
MAPK3 P27361 2/20 0.42
BTK Q06187 5/20 0.40
JAK2 O60674 2/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
GFER P55789 1/20 0.38
GRM5 P41594 1/20 0.38
JAK1 P23458 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 1/20 0.38
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37

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
SCHEMBL4218922 0.93 SCN1A (0.40) JAK3BTKMCHR1EPHX2SCN1A
SCHEMBL4229530 0.86 NOS1 (0.40) MCHR1EPHX2SCN1ASCN8A
SCHEMBL27677705 0.85 USP30 (0.47) BTK
SCHEMBL4225308 0.84 JAK3 (0.45) JAK3MAPK3BTKJAK2EGFR
SCHEMBL27677723 0.80 KMT2A (0.42) JAK2MCHR1
SCHEMBL4227701 0.80 EGFR (0.38) JAK3BTKJAK2EGFRITK
SCHEMBL4219722 0.79 HCAR3 (0.45) JAK3JAK2EGFRITKGFER
SCHEMBL4219157 0.78 ROCK2 (0.41) SCN1ASCN8A
SCHEMBL27677658 0.78 PIK3CD (0.49) BTK
SCHEMBL4225888 0.77 SCN1A (0.38) JAK3BTKEGFRMCHR1EPHX2

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 6 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
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO 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 JAK3 4112/4885MAPK3 2440/4885BTK 1521/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 JAK3 4148/4885MAPK3 2911/4885BTK 1601/4885

“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.