SCHEMBL3044393

SCHEMBL3044393

CC(C)(C)OC(=O)C1Cn2ccc3c(C(=O)NCc4ccc(C(=O)O)cc4)ccc(c32)CN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.39
EPHX2 P34913 2/20 0.39
LMNA P02545 2/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 2/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 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
SCHEMBL3060172 0.92 L3MBTL1 (0.37) LMNATP53SMN1; SMN2KMT2AMEN1
SCHEMBL3048681 0.92 HDAC6 (0.40) LMNATP53SMN1; SMN2KMT2AMEN1
SCHEMBL3050218 0.84 MEN1 (0.30) KMT2AMEN1NPSR1
SCHEMBL3065624 0.84 P2RX3 (0.35) EPHX2LMNATP53TDP1
SCHEMBL6336840 0.76
SCHEMBL3050327 0.74
SCHEMBL15166829 0.68 LIPG (0.41) KMT2AMEN1
SCHEMBL3044391 0.67 SMN1; SMN2 (0.47) NR1H4EPHX2LMNATP53SMN1; SMN2
SCHEMBL6806997 0.67 GSK3B (0.46)
SCHEMBL6799178 0.65 GSK3B (0.42)

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 NR1H4 758/4885EPHX2 3047/4885LMNA 1393/4885

“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.