SCHEMBL2608531

SCHEMBL2608531

COc1ccc(N=O)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.49
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 7/20 0.37
P2RX7 Q99572 5/20 0.36
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PIK3CA P42336 1/20 0.32
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL10255865 0.80 NNMT (0.44) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL23620229 0.80 POLB (0.38) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL12116625 0.79 MAPT (0.38) P2RX7
SCHEMBL13233495 0.78 NNMT (0.40) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL21620863 0.78 POLB (0.37) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL12060293 0.78 POLB (0.37) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL31010430 0.76 NNMT (0.41) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL3671439 0.76 APLNR (0.44) NNMTPOLBTDP1CYP1A2KMT2A
SCHEMBL13952702 0.74 CCR1 (0.39) CYP1A2KMT2AP2RX7
SCHEMBL10196024 0.73 NNMT (0.39) NNMTPOLBTDP1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 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 (6 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA NNMT 1138/4885POLB 1093/4885TDP1 3738/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH NNMT 98/4885POLB 308/4885TDP1 4367/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA NNMT 1138/4885POLB 1093/4885TDP1 3738/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NNMT 1791/4885POLB 483/4885TDP1 346/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 NNMT 1922/4885POLB 3938/4885TDP1 4683/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 NNMT 2011/4885POLB 3823/4885TDP1 4635/4885

“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.