SCHEMBL5485830

SCHEMBL5485830

O=C(O)c1ccc(OCc2ccccc2)c(C(=O)NO)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
GCK P35557 1/20 0.54
FOLH1 Q04609 3/20 0.53
NPC1 O15118 1/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
SGMS2 Q8NHU3 2/20 0.51
PTGER1 P34995 1/20 0.51
LRRK2 Q5S007 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5485828 0.89 SMPD1 (0.70) SMPD1HDAC1HDAC8HDAC6FOLH1
SCHEMBL6687841 0.88 SMPD1 (0.65) SMPD1HDAC1HDAC8HDAC6GCK
SCHEMBL1649243 0.87 FOLH1 (0.68) FOLH1NPC1NR4A2NR4A1NR4A3
SCHEMBL14508840 0.84 FOLH1 (0.66) SMPD1HDAC1HDAC8HDAC6FOLH1
SCHEMBL1646582 0.83 RXRA (0.56) SMPD1HDAC1HDAC8HDAC6FOLH1
SCHEMBL19667131 0.83 LRRK2 (0.64) SMPD1HDAC1HDAC8HDAC6FOLH1
SCHEMBL6687833 0.83 HDAC8 (0.73) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL974381 0.82 SGMS2 (0.72) NPC1SGMS2MEN1KMT2A
SCHEMBL1316640 0.82 ALDH1A1 (0.56) FOLH1NR4A2NR4A1NR4A3PTGER1
SCHEMBL383169 0.81 FOLH1 (0.53) FOLH1NR4A2NR4A1NR4A3PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 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 (2 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-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 SMPD1 713/4885HDAC1 606/4885HDAC8 1064/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A SMPD1 25/4885HDAC1 1579/4885HDAC8 1366/4885

“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.