SCHEMBL4579546

SCHEMBL4579546

O=C(N[C@H]1CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.47
NAAA Q02083 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
PARP1 P09874 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT6 P42226 1/20 0.44
PREP P48147 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL4579551 1.00 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBNAAACTSL
SCHEMBL3932081 0.93 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2POLBNAAACTSL
SCHEMBL6216047 0.93 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2POLBNAAACTSL
SCHEMBL3932072 0.93 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2POLBNAAACTSL
SCHEMBL8343112 0.80 PREP (0.53) ALDH1A1NAAACTSLCTSBPARP1
SCHEMBL22076255 0.79 CTSL (0.55) ALDH1A1NAAACTSLCTSBMAPT
SCHEMBL29048164 0.78 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13017770 0.78 NAAA (0.50) ALDH1A1NAAACTSLCTSBGAA
SCHEMBL12345121 0.78 NAAA (0.50) ALDH1A1NAAACTSLCTSBGAA
SCHEMBL8342642 0.77 GAA (0.63) ALDH1A1SMN1; SMN2POLBNAAAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 ALDH1A1 796/4885SMN1; SMN2 3671/4885POLB 488/4885

“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.