SCHEMBL5051298

SCHEMBL5051298

O=C(O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.67
TDP1 Q9NUW8 3/20 0.62
KDM4E B2RXH2 2/20 0.56
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LTC4S Q16873 1/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL27680384 0.87 SRD5A2 (0.67) SRD5A2TDP1ALDH1A1POLBMAPK1
SCHEMBL27660357 0.85 SRD5A2 (0.64) SRD5A2TDP1KDM4EALDH1A1POLB
SCHEMBL11010668 0.84 LMNA (0.60) SRD5A2TDP1KDM4ECDC25ACDC25B
SCHEMBL27183074 0.83 SRD5A2 (0.66) SRD5A2TDP1KDM4ECDC25ACDC25B
SCHEMBL10695450 0.83 LTC4S (0.58) SRD5A2TDP1KDM4ELTC4SALDH1A1
SCHEMBL4249231 0.81 SRD5A2 (1.00) SRD5A2TDP1ALDH1A1POLBMAPK1
4-Nitrobenzoic Acid SCHEMBL17332065 0.80 TDP1 (0.95) SRD5A2TDP1ALDH1A1POLBMAPK1
SCHEMBL17737248 0.80 L3MBTL1 (0.62) SRD5A2TDP1LTC4SALDH1A1POLB
SCHEMBL27343732 0.80 SRD5A2 (0.57) SRD5A2TDP1LTC4SALDH1A1POLB
SCHEMBL370129 0.79 KDM4E (0.85) SRD5A2TDP1KDM4ECDC25ACDC25B

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
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors EISAI INC. 2003-05-01 US 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-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 (8 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 SRD5A2 3103/4885TDP1 62/4885KDM4E 1863/4885
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors NGF, GAP43, ACHE SRD5A2 3688/4885TDP1 278/4885KDM4E 4182/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA SRD5A2 3192/4885TDP1 27/4885KDM4E 2554/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL SRD5A2 1751/4885TDP1 4298/4885KDM4E 1768/4885
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 SRD5A2 1378/4885TDP1 296/4885KDM4E 3314/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP SRD5A2 1483/4885TDP1 533/4885KDM4E 2369/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 SRD5A2 650/4885TDP1 1363/4885KDM4E 991/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A SRD5A2 1489/4885TDP1 125/4885KDM4E 2355/4885

“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.