SCHEMBL15064460

SCHEMBL15064460

CC(C)(C)C1[C@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
UBE2N P61088 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL12474432 0.90 GAA (0.47) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL15064582 0.86 CNR2 (0.33) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL18115935 0.75 KMT2A (0.40) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL2300110 0.75 KMT2A (0.41) POLBKMT2AMEN1L3MBTL1MAPT
SCHEMBL18988506 0.73 USP30 (0.42)
SCHEMBL12474426 0.73 HDAC3 (0.50) HDAC3HDAC1HDAC2GAAALDH1A1
SCHEMBL3272148 0.71 PREP (0.45) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL3104390 0.70 MTNR1A (0.34) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3089935 0.70 MTNR1A (0.34) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5794052 0.69 DRD2 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 HDAC3 422/4885HDAC1 666/4885HDAC2 855/4885

“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.