SCHEMBL6687841

SCHEMBL6687841

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.65
HDAC1 Q13547 4/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
LRRK2 Q5S007 4/20 0.51
HDAC2 Q92769 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GCK P35557 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6687833 0.90 HDAC8 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL551475 0.88 FOLH1 (0.60) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL5485830 0.88 SMPD1 (0.62) SMPD1HDAC1HDAC8HDAC6LRRK2
SCHEMBL8641451 0.87 HPGD (0.57) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL551533 0.86 PARP1 (0.57) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL383025 0.85 HPGD (0.54) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL3245222 0.84 SMPD1 (0.67) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL6539001 0.84 HPGD (0.53) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL5485828 0.83 SMPD1 (0.70) SMPD1HDAC1HDAC8HDAC6HDAC2
SCHEMBL382703 0.83 SMPD1 (0.59) SMPD1HDAC1HDAC8HDAC6HPGD

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 5 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

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.