SCHEMBL6687833

SCHEMBL6687833

COC(=O)c1cc(C(=O)NO)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.73
SMPD1 P17405 7/20 0.73
HDAC1 Q13547 7/20 0.73
HDAC6 Q9UBN7 6/20 0.73
HDAC2 Q92769 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
HDAC3 O15379 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
HDAC4 P56524 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 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
SCHEMBL6687841 0.90 SMPD1 (0.65) HDAC8SMPD1HDAC1HDAC6HDAC2
SCHEMBL5485828 0.88 SMPD1 (0.70) HDAC8SMPD1HDAC1HDAC6HDAC2
SCHEMBL1646582 0.88 RXRA (0.56) HDAC8SMPD1HDAC1HDAC6KDM4E
SCHEMBL131382 0.87 MAOB (0.55) HDAC8SMPD1HDAC1HDAC6KDM4E
SCHEMBL10735495 0.85 SMN1; SMN2 (0.70) HDAC8SMPD1HDAC1HDAC6KDM4E
SCHEMBL28325672 0.84 SMPD1 (0.90) HDAC8SMPD1HDAC1HDAC6HDAC2
SCHEMBL28591307 0.84 SMPD1 (1.00) HDAC8SMPD1HDAC1HDAC6HDAC2
SCHEMBL6016752 0.84 HPGD (0.54) HDAC8SMPD1HDAC1HDAC6KDM4E
SCHEMBL11565369 0.84 LRRK2 (0.59) HDAC8SMPD1HDAC1HDAC6KDM4E
SCHEMBL969045 0.84 HPGD (0.55) HDAC8SMPD1HDAC1HDAC6KDM4E

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 7 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

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 HDAC8 1064/4885SMPD1 713/4885HDAC1 606/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A HDAC8 1366/4885SMPD1 25/4885HDAC1 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.