SCHEMBL5060087

SCHEMBL5060087

O=C(O)c1ccc(C(=O)Nc2cccc3ccccc23)c(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 1.00
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.55
GRIK1 P39086 1/20 0.55
GFER P55789 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52

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
Naptalam SCHEMBL8537412 0.85 HSD17B10 (0.74) HSD17B10RAB9ANPC1CYP2C9CYP1A2
Naptalam SCHEMBL29610802 0.85 HSD17B10 (0.74) HSD17B10RAB9ANPC1CYP2C9CYP1A2
Naptalam SCHEMBL54940 0.85 HSD17B10 (0.74) HSD17B10RAB9ANPC1CYP2C9CYP1A2
Naptalam SCHEMBL29469565 0.85 HSD17B10 (0.74) HSD17B10RAB9ANPC1CYP2C9CYP1A2
Naptalam SCHEMBL984498 0.84 HSD17B10 (0.72) HSD17B10RAB9ANPC1CYP2C9CYP1A2
SCHEMBL27561288 0.82 RAB9A (0.79) HSD17B10RAB9ANPC1CYP2C9CYP1A2
SCHEMBL3660790 0.82 HSD17B10 (0.70) HSD17B10RAB9ANPC1CYP2C9CYP1A2
SCHEMBL3659854 0.82 HSD17B10 (0.70) HSD17B10RAB9ANPC1CYP2C9CYP1A2
SCHEMBL3659724 0.82 RAB9A (0.84) HSD17B10RAB9ANPC1CYP2C9CYP1A2
SCHEMBL7084829 0.81 HSD17B10 (0.67) HSD17B10RAB9ANPC1CYP2C9CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease GUILFORD PHARMACEUTICALS INC. 2005-04-14 US claimed
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
WO-2003057154-A2 NAALADASE INHIBITORS FOR TREATING HUNTINGTON'S DISEASE GUILDFORD PHARMACEUTICALS INC. (US) 2003-07-17 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
US-6452044-B2 NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-09-17 US claimed
US-20020019430-A1 Nervous system and psychological disorders EISAI INC. 2002-02-14 US claimed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma GUILFORD PHARMACEUTICALS INC. 2005-08-04 US disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US disclosed
US-6452044-B2 NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-09-17 US disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO 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 (7 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-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 HSD17B10 1572/4885RAB9A 1588/4885NPC1 162/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA HSD17B10 418/4885RAB9A 2315/4885NPC1 221/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL HSD17B10 2227/4885RAB9A 2236/4885NPC1 358/4885
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma NAALAD2, GLUL, DNPEP HSD17B10 1053/4885RAB9A 4076/4885NPC1 2472/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP HSD17B10 965/4885RAB9A 3786/4885NPC1 3592/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 HSD17B10 645/4885RAB9A 2424/4885NPC1 613/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A HSD17B10 622/4885RAB9A 573/4885NPC1 121/4885

“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.