SCHEMBL5485331

SCHEMBL5485331

Cc1ccc(C(=O)c2ccccc2C(=O)NO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
AKR1C3 P42330 2/20 0.66
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
HDAC7 Q8WUI4 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MPO P05164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL14508861 0.87 HDAC8 (0.59) TDP1AKR1C3HDAC1HDAC6HDAC7
SCHEMBL11189754 0.87 AKR1C3 (0.84) TDP1AKR1C3ALDH1A1LMNAMAPT
SCHEMBL11208433 0.85 AKR1C3 (0.63) TDP1AKR1C3HDAC1HDAC6NPSR1
SCHEMBL28384877 0.83 AKR1C3 (0.85) TDP1AKR1C3NPSR1ALDH1A1LMNA
SCHEMBL13485791 0.82 NR4A1 (0.66) TDP1AKR1C3NPSR1ALDH1A1LMNA
SCHEMBL13485824 0.82 GAA (0.50) TDP1AKR1C3HDAC1HDAC6NPSR1
SCHEMBL13622394 0.79 AKR1C3 (0.72) TDP1AKR1C3NPSR1ALDH1A1LMNA
SCHEMBL29701296 0.79 AKR1C3 (1.00) TDP1AKR1C3ALDH1A1LMNAKDM4E
SCHEMBL503364 0.79 AKR1C3 (1.00) TDP1AKR1C3ALDH1A1LMNAKDM4E
SCHEMBL314 0.79 AKR1C3 (0.66) TDP1AKR1C3ALDH1A1LMNAMAPT

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 TDP1 1363/4885AKR1C3 680/4885HDAC1 606/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A TDP1 125/4885AKR1C3 371/4885HDAC1 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.