SCHEMBL5173391

SCHEMBL5173391

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.77
THRB P10828 2/20 0.77
MEN1 O00255 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPK1 P28482 1/20 0.51
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.46
SMYD3 Q9H7B4 2/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 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
SCHEMBL5579700 1.00 GAA (0.77) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5078436 0.90 GAA (0.74) GAATHRBMEN1RAB9AKMT2A
SCHEMBL14454662 0.90 GAA (0.78) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5078443 0.90 GAA (0.74) GAATHRBMEN1RAB9AKMT2A
SCHEMBL14473030 0.90 GAA (0.78) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5077585 0.78 GAA (0.70) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5082080 0.78 GAA (0.70) GAATHRBMEN1RAB9AKMT2A
SCHEMBL8246060 0.78 GAA (0.57) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5176190 0.77 GAA (0.66) GAATHRBMEN1RAB9AKMT2A
SCHEMBL428355 0.71 MAPK1 (1.00) RAB9AMAPK1POLBLMNACYP1A2

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
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
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 1827/4885MEN1 4013/4885

“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.