SCHEMBL4553548

SCHEMBL4553548

CC(C(=O)O)n1ncc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.47
KMO O15229 3/20 0.46
ELANE P08246 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC8 Q9BY41 4/20 0.40
MCL1 Q07820 1/20 0.40
RECQL P46063 1/20 0.40
APAF1 O14727 1/20 0.39
SLC6A2 P23975 1/20 0.39
TFPI2 P48307 1/20 0.39
ASAH1 Q13510 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL30066427 1.00 KMT2A (0.50) KMT2AALDH1A1KMOELANEKDM4E
Oxalic Acid SCHEMBL14810479 0.83 KMO (0.46) KMT2AKMOELANEKDM4EMEN1
SCHEMBL30730294 0.83 NPC1 (0.42) KMT2AALDH1A1KMOELANEKDM4E
SCHEMBL31326725 0.81 KMO (0.42) KMT2AKMOELANEMEN1NPC1
SCHEMBL18135255 0.81 KMO (0.42) KMT2AKMOELANEMEN1NPC1
SCHEMBL8725006 0.80 KMO (0.43) KMT2AKMOELANEMEN1NPC1
SCHEMBL878425 0.78 RECQL (0.43) KMT2AALDH1A1KMOELANEKDM4E
SCHEMBL29350890 0.78 RECQL (0.43) KMT2AALDH1A1KMOELANEKDM4E
SCHEMBL6281573 0.76 ELANE (0.40) KMT2AALDH1A1KMOELANEKDM4E
SCHEMBL30918021 0.76 MEN1 (0.44) KMT2AALDH1A1KMOELANEKDM4E

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
EP-2697203-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corporation (US) 2014-02-19 EP claimed
WO-2012139495-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO claimed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
CN-1489586-A Indazolyl-substituted pyrroline compounds as kinase inhibitor ����-������ҩƷ��˾ 2004-04-14 CN 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 KMT2A 4539/4885ALDH1A1 1590/4885KMO 2753/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 KMT2A 4529/4885ALDH1A1 1566/4885KMO 2592/4885

“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.