SCHEMBL5485828

SCHEMBL5485828

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 7/20 0.70
HDAC8 Q9BY41 4/20 0.70
HDAC1 Q13547 4/20 0.70
HDAC6 Q9UBN7 3/20 0.70
FOLH1 Q04609 3/20 0.60
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SGMS2 Q8NHU3 2/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL14508840 0.90 FOLH1 (0.66) SMPD1HDAC8HDAC1HDAC6FOLH1
SCHEMBL5485830 0.89 SMPD1 (0.62) SMPD1HDAC8HDAC1HDAC6FOLH1
SCHEMBL6687833 0.88 HDAC8 (0.73) SMPD1HDAC8HDAC1HDAC6KDM4E
SCHEMBL1649243 0.87 FOLH1 (0.68) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL551475 0.83 FOLH1 (0.60) SMPD1HDAC8HDAC1HDAC6FOLH1
SCHEMBL131229 0.83 FOLH1 (0.63) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL6687841 0.83 SMPD1 (0.65) SMPD1HDAC8HDAC1HDAC6KDM4E
SCHEMBL28591307 0.82 SMPD1 (1.00) SMPD1HDAC8HDAC1HDAC6KDM4E
SCHEMBL28325672 0.82 SMPD1 (0.90) SMPD1HDAC8HDAC1HDAC6KDM4E
SCHEMBL4295650 0.82 FOLH1 (0.62) SMPD1HDAC8HDAC1HDAC6FOLH1

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 8 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
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
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 713/4885HDAC8 1064/4885HDAC1 606/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A SMPD1 25/4885HDAC8 1366/4885HDAC1 1579/4885

“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.