SCHEMBL2403178

SCHEMBL2403178

C/C(=C\c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.59
RAB9A P51151 1/20 0.58
EPHX2 P34913 3/20 0.53
HSD11B1 P28845 1/20 0.49
POLB P06746 1/20 0.48
P2RX7 Q99572 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL2405650 0.81 MEN1 (0.52) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL2405652 0.81 MEN1 (0.52) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL2404960 0.81 HDAC6 (0.55) KMT2AMEN1SMN1; SMN2EPHX2ALDH1A1
SCHEMBL2404962 0.81 HDAC6 (0.55) KMT2AMEN1SMN1; SMN2EPHX2ALDH1A1
SCHEMBL3322052 0.80 KMT2A (0.74) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL2403181 0.79 EPHX2 (0.41) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
Adamantane SCHEMBL3322185 0.79 KMT2A (0.72) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL2407868 0.78 HDAC3 (0.71) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL2403209 0.78 HDAC3 (0.71) KMT2AMEN1SMN1; SMN2RAB9AEPHX2
SCHEMBL3320032 0.77 KMT2A (0.74) KMT2AMEN1SMN1; SMN2RAB9AEPHX2

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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KMT2A 328/4885MEN1 2434/4885SMN1; SMN2 3730/4885

“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.