SCHEMBL6528889

SCHEMBL6528889

CCCCCc1c(N)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.48
SRC P12931 1/20 0.43
CA2 P00918 1/20 0.43
PTPN1 P18031 3/20 0.43
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
AGPAT2 O15120 1/20 0.41

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
SCHEMBL11218137 0.81 PTPN1 (0.57) PTPN1
SCHEMBL8594791 0.80 SRC (0.54) SRC
SCHEMBL11050071 0.80 PTPN1 (0.49) PTPN1
SCHEMBL4530526 0.79 SRC (0.52) SRC
SCHEMBL2985777 0.78 PTPN1 (0.53) PTPN1
SCHEMBL28018621 0.78 SRC (0.55) SRC
SCHEMBL18227970 0.78 KDM4E (0.47) CA2FAAH
SCHEMBL28199506 0.78 KDM4E (0.53) SRC
SCHEMBL27915558 0.76 NPC1 (0.40) TLR8SRC
SCHEMBL24958682 0.75 CA2 (0.51) CA2PTPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193862-B Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD 2013-08-21 CN disclosed
CN-101193862-A Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD (GB) 2008-06-04 CN disclosed
US-6903134-B2 Formulation comprising benzofuranone derivatives for protection against oxidative stress MERCK PATENT GMBH (DE) 2005-06-07 US disclosed
EP-1250331-B1 FORMULATION FOR PROTECTION AGAINST OXIDATIVE STRESS CONTAINING BENZOFURANONE DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-03 EP disclosed
US-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives MERCK PATENT GMBH (DE) 2003-03-27 US disclosed
EP-1250331-A1 FORMULATION FOR PROTECTION AGAINST OXIDATIVE STRESS CONTAINING BENZOFURANONE DERIVATIVES MERCK PATENT GmbH (DE) 2002-10-23 EP disclosed
WO-2001055128-A1 FORMULATION FOR PROTECTION AGAINST OXIDATIVE STRESS CONTAINING BENZOFURANONE DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-02 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 (1 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-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives NQO1, NFE2L2, GPX4 TLR8 2775/4885SRC 3375/4885CA2 4258/4885

“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.