SCHEMBL4240340

SCHEMBL4240340

N#Cc1ccc([N+](=O)[O-])c(NCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
PIK3CD O00329 1/20 0.47
HPGD P15428 1/20 0.47
CD274 Q9NZQ7 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
SCHEMBL5341510 0.82 CYP2C19 (0.62) MAPTTDP1POLBPKMLMNA
SCHEMBL22456073 0.82 MAPT (0.67) MAPTTDP1POLBPKMLMNA
SCHEMBL8564086 0.82 MAPT (0.61) MAPTTDP1POLBPKMLMNA
SCHEMBL16044320 0.82 MAPT (0.61) MAPTTDP1POLBPKMLMNA
SCHEMBL4240648 0.80 PKM (0.49) MAPTPOLBPKMLMNAMAPK1
SCHEMBL22455941 0.80 MAPT (0.61) MAPTTDP1POLBPKMLMNA
SCHEMBL737318 0.79 MEN1 (0.62) MAPTTDP1POLBPKMLMNA
SCHEMBL28586443 0.79 POLB (0.54) MAPTTDP1POLBPKMLMNA
SCHEMBL8883294 0.78 MAPT (0.59) MAPTTDP1POLBPKMLMNA
SCHEMBL7371227 0.76 RAB9A (0.61) MAPTTDP1PKMLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAPT 1769/4885TDP1 729/4885POLB 3279/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPT 2228/4885TDP1 549/4885POLB 3951/4885

“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.