SCHEMBL5481768

SCHEMBL5481768

O=C(COc1ccccc1C(=O)O)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 8/20 0.57
KMT2A Q03164 1/20 0.57
PTK2B Q14289 1/20 0.57
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
USP2 O75604 1/20 0.50
PDE3A Q14432 1/20 0.50
PARP1 P09874 1/20 0.49
MAPT P10636 1/20 0.48
APEX1 P27695 1/20 0.48
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL6539266 0.85 KDM4E (0.63) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL5487845 0.83 ALDH1A1 (0.63) HTTALDH1A1KMT2AHSD17B10MAPT
SCHEMBL29502958 0.82 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL341639 0.82 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL18495455 0.81 HDAC1 (0.63) ALDH1A1KMT2APTK2B
SCHEMBL20235215 0.81 NPC1 (0.58) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL6538994 0.81 KDM4E (0.62) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL15285318 0.81 NPC1 (0.64) KDM4EHTTALDH1A1KMT2AHPGD
SCHEMBL4237868 0.79 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL6538688 0.79 KDM4E (1.00) KDM4EHTTALDH1A1KMT2APTK2B

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 KDM4E 991/4885HTT 3415/4885ALDH1A1 105/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A KDM4E 2355/4885HTT 2510/4885ALDH1A1 198/4885

“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.