SCHEMBL5053292

SCHEMBL5053292

O=C(O)c1ccc(NCc2ccco2)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
KDM6B O15054 1/20 0.59
KDM4A O75164 1/20 0.59
KDM5C P41229 1/20 0.59
KDM4D Q6B0I6 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
ALDH1A1 P00352 6/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
HTR1A P08908 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
HSD11B1 P28845 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
SLC10A1 Q14973 1/20 0.57
CA9 Q16790 1/20 0.57
GPR35 Q9HC97 1/20 0.57
CISD1 Q9NZ45 1/20 0.57

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
SCHEMBL5053005 0.89 KDM4E (0.62) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL13909029 0.83 KDM4E (0.55) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL453628 0.82 KDM4E (0.68) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL4186470 0.82 ALDH1A1 (0.59) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL11452291 0.81 ALDH1A1 (0.64) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL9794678 0.81 ALDH1A1 (0.67) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL9835718 0.81 MAPT (0.68) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL12189529 0.80 TDP1 (0.57) ALDH1A1MAPTLMNAPOLBTDP1
SCHEMBL12190073 0.80 TDP1 (0.57) ALDH1A1MAPTLMNAPOLBTDP1
SCHEMBL5349826 0.78 ALDH1A1 (0.60) KDM4EKDM6BKDM4AKDM5CKDM4D

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 27 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-6852750-B2 Benzenedicarboxylic acid derivatives GUILFORD PHARMACEUTICALS, INC. (US) 2005-02-08 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-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-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA 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-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA 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 KDM4E 1863/4885KDM6B 1533/4885KDM4A 2089/4885
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 KDM4E 4182/4885KDM6B 3730/4885KDM4A 3952/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA KDM4E 2554/4885KDM6B 1891/4885KDM4A 2873/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL KDM4E 1768/4885KDM6B 543/4885KDM4A 962/4885
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 KDM4E 3314/4885KDM6B 3226/4885KDM4A 2912/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP KDM4E 2369/4885KDM6B 1659/4885KDM4A 1473/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 KDM4E 991/4885KDM6B 912/4885KDM4A 1097/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A KDM4E 2355/4885KDM6B 1887/4885KDM4A 2227/4885

“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.