SCHEMBL5141292

SCHEMBL5141292

COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C(C)C)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.52
PTPN13 Q12923 2/20 0.52
GAA P10253 5/20 0.52
THRB P10828 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 3/20 0.43
CTSL P07711 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40

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
SCHEMBL5077647 0.89 HDAC3 (0.53) GAATHRBHDAC8HDAC3HDAC4
SCHEMBL5077653 0.89 HDAC3 (0.53) GAATHRBHDAC8HDAC3HDAC4
SCHEMBL5078940 0.89 HDAC3 (0.53) GAATHRBHDAC8HDAC3HDAC4
SCHEMBL5579397 0.89 GAA (0.50) GAATHRBHDAC8MEN1RAB9A
SCHEMBL5075678 0.83 HDAC1 (0.54) GAATHRBHDAC8HDAC3HDAC4
SCHEMBL5075680 0.83 HDAC1 (0.54) GAATHRBHDAC8HDAC3HDAC4
SCHEMBL5081487 0.80 HDAC3 (0.54) GAATHRBHDAC8MEN1RAB9A
SCHEMBL5081482 0.80 HDAC3 (0.54) GAATHRBHDAC8MEN1RAB9A
SCHEMBL19852 0.73 HDAC8 (0.63) PTPRCPTPN13L3MBTL1HDAC8CTSL
SCHEMBL31635262 0.72 L3MBTL1 (0.69) PTPRCPTPN13GAAL3MBTL1HDAC8

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 3 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
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 PTPRC 3579/4885PTPN13 3710/4885GAA 1711/4885

“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.