SCHEMBL4928611

SCHEMBL4928611

Cn1nnc2c(Sc3nc4ccccc4o3)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.68
NOX5 Q96PH1 1/20 0.68
NOX4 Q9NPH5 1/20 0.68
DUOX2 Q9NRD8 1/20 0.68
DUOX1 Q9NRD9 1/20 0.68
NOX1 Q9Y5S8 1/20 0.68
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 7/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 3/20 0.40
PKM P14618 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
SCHEMBL4920220 0.84 CYBB (0.69) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL29368383 0.81 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL2027831 0.81 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4920436 0.78 CYBB (0.78) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4923550 0.78 CYBB (0.80) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL28366757 0.69 DDAH1 (0.59) ALDH1A1KMT2ALMNAPOLBHTT
SCHEMBL4928536 0.69 CYBB (0.73) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4920666 0.66 CYBB (0.71) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL28030477 0.65 DDAH1 (0.54) ALDH1A1KMT2ALMNAPOLBHTT
SCHEMBL28822248 0.65 KMT2A (0.55) ALDH1A1KMT2ALMNAPOLBHTT

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
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
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
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 CYBB 2/4885NOX5 4/4885NOX4 5/4885

“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.