SCHEMBL5176181

SCHEMBL5176181

CC(C)[C@@H]1Nc2ccc(C(=O)O)cc2NC1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.66
THRB P10828 2/20 0.64
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PABPC1 P11940 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL5176190 1.00 GAA (0.66) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL29026155 0.90 GAA (0.55) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL30428203 0.90 GAA (0.55) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5077583 0.85 GAA (0.70) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5579442 0.85 GAA (0.50) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5579438 0.85 GAA (0.50) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5077585 0.85 GAA (0.70) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5082080 0.85 GAA (0.70) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL27077382 0.80 MEN1 (0.64) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL29893035 0.80 MEN1 (0.64) GAATHRBPOLBSMN1; SMN2MEN1

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-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 GAA 1711/4885THRB 1827/4885POLB 1435/4885

“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.