SCHEMBL5484295

SCHEMBL5484295

N#Cc1ccc(COc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.76
RAB9A P51151 1/20 0.66
MAOB P27338 1/20 0.55
ADAM17 P78536 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
GUSB P08236 1/20 0.52
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
PARP10 Q53GL7 1/20 0.51
PTPRC P08575 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 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
SCHEMBL16239638 0.85 RAB9A (0.62) SMPD1RAB9AMAOBADAM17ALDH1A1
SCHEMBL366501 0.85 RAB9A (0.62) SMPD1RAB9AMAOBADAM17ALDH1A1
SCHEMBL19962767 0.82 RAB9A (0.70) SMPD1RAB9AMAOBALDH1A1MAPT
SCHEMBL12687869 0.82 CA1 (0.57) SMPD1RAB9AMAOB
SCHEMBL20463317 0.82 ALDH1A1 (0.74) SMPD1RAB9AMAOBALDH1A1MAPT
SCHEMBL29741480 0.80 MAOB (0.81) SMPD1RAB9AMAOB
SCHEMBL18664184 0.80 MAOB (0.81) SMPD1RAB9AMAOB
SCHEMBL25998778 0.79 SMPD1 (0.59) SMPD1RAB9AADAM17SPHK2SPHK1
SCHEMBL22386738 0.78 RAB9A (0.68) SMPD1RAB9AMAOBADAM17ALDH1A1
SCHEMBL22386762 0.77 RAB9A (0.67) SMPD1RAB9AMAOBALDH1A1MAPT

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 713/4885RAB9A 2424/4885MAOB 185/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A SMPD1 25/4885RAB9A 573/4885MAOB 991/4885

“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.