SCHEMBL4580340

SCHEMBL4580340

O=C1CCN(c2ccc(C(=O)O)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA9 Q16790 4/20 0.53
CA1 P00915 3/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.51
DDAH1 O94760 1/20 0.46
POLB P06746 4/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SCN2A Q99250 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL1664948 0.89 KDM4E (0.61) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL3512127 0.82 NSD2 (0.42) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL22442363 0.80 ALDH1A1 (0.57) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL1953072 0.79 MEN1 (0.45) ALDH1A1USP2POLBTSHRMAPT
SCHEMBL23610369 0.78 KDM4E (0.71) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL17737082 0.78 KDM4E (0.71) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL16061897 0.78 MEN1 (0.57) ALDH1A1KDM4EUSP2POLBTP53
SCHEMBL30109424 0.78 MEN1 (0.57) ALDH1A1KDM4EUSP2POLBTP53
SCHEMBL9829081 0.77 ALDH1A1 (0.55) CA12CA9CA1ALDH1A1POLB
SCHEMBL212898 0.77 SRD5A1 (0.44) CA12CA9CA1ALDH1A1CA2

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
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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 (1 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CA12 2477/4885CA9 1721/4885CA1 1896/4885

“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.