SCHEMBL4926850

SCHEMBL4926850

Nc1nc(Cl)c([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
LMNA P02545 3/20 0.60
MAPK1 P28482 3/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.55
APP P05067 2/20 0.52
NPSR1 Q6W5P4 3/20 0.52
BLM P54132 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
RECQL P46063 1/20 0.49

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
SCHEMBL15156071 0.84 MAPT (0.56) MAPTLMNAMAPK1HPGDHTT
SCHEMBL3422229 0.80 APP (0.60) SMN1; SMN2APPNPSR1
SCHEMBL30983973 0.80 HTT (0.71) MAPTLMNAMAPK1HPGDHTT
SCHEMBL7149785 0.78 ADORA2A (0.66) MAPTLMNAMAPK1HPGDHTT
SCHEMBL18207430 0.78 TLR7 (0.74) MAPTLMNAMAPK1HPGDHTT
SCHEMBL14549612 0.78 MAPT (0.73) MAPTLMNAMAPK1HPGDHTT
SCHEMBL16486521 0.76 MAPT (0.49) MAPTLMNAMAPK1HPGDHTT
SCHEMBL212307 0.75 EGFR (0.60) MAPTLMNAMAPK1HPGDHTT
SCHEMBL8569814 0.75 MAPT (0.61) MAPTLMNAMAPK1HPGDHTT
SCHEMBL4045936 0.74 EGFR (0.53) MAPTALDH1A1POLBAPPTDP1

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-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
CN-1989140-B Compounds containing a n-heteroaryl moiety linked to fused ring moieties for the inhibition of nad(p)h oxidases and platelet activation VASOPHARM BIOTECH GMBH 2012-01-11 CN disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
CN-1989140-A Compounds containing a n-heteroaryl moiety linked to fused ring moieties for the inhibition of nad(p)h oxidases and platelet activation VASOPHARM BIOTECH GMBH (DE) 2007-06-27 CN disclosed
EP-1756113-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION Vasopharm Biotech GmbH (DE) 2007-02-28 EP disclosed
WO-2005111041-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM BIOTECH GMBH (DE) 2005-11-24 WO disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 EP 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK MAPT 4226/4885LMNA 3898/4885MAPK1 2293/4885

“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.