SCHEMBL3058652

SCHEMBL3058652

O=C(NOC1CCCCO1)c1ccc(CNC(=O)c2ccc3c4c2ccn4CC(C(=O)O)NC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPK14 Q16539 14/20 0.35
MAPK11 Q15759 6/20 0.35
DDR1 Q08345 3/20 0.35
DDR2 Q16832 3/20 0.35
MAP3K20 Q9NYL2 3/20 0.35
MAP3K2 Q9Y2U5 2/20 0.35
TNF P01375 1/20 0.35
KIT P10721 1/20 0.35
MYLK4 Q86YV6 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.35
CNR2 P34972 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
ABL1 P00519 1/20 0.33
FGFR3 P22607 1/20 0.33
MAP3K4 Q9Y6R4 1/20 0.33

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
SCHEMBL3065624 0.91 P2RX3 (0.35) P2RX3EPHX2MAPK14MAPK11DDR1
SCHEMBL3058644 0.74 P2RX3 (0.40) P2RX3EPHX2MAPK14MAPK11DDR1
SCHEMBL3065623 0.70 LMNA (0.42) P2RX3
SCHEMBL28806104 0.68 TACR3 (0.58)
SCHEMBL1350794 0.67 GSTP1 (0.48) P2RX3EPHX2GSTP1GSTM2
SCHEMBL19021370 0.67 GSTP1 (0.48) P2RX3EPHX2GSTP1GSTM2
SCHEMBL19167335 0.67 GSTP1 (0.48) P2RX3EPHX2GSTP1GSTM2
SCHEMBL23500769 0.66 MEN1 (0.54) P2RX3EPHX2GSTP1GSTM2
SCHEMBL8078748 0.65 SMN1; SMN2 (0.38) P2RX3
SCHEMBL5020595 0.65 HDAC1 (0.48) P2RX3GSTP1GSTM2

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 P2RX3 4527/4885EPHX2 3047/4885MAPK14 2332/4885

“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.