SCHEMBL4937076

SCHEMBL4937076

c1ccc(Cn2nnc3c(Sc4ncco4)ncnc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.66
NOX5 Q96PH1 1/20 0.66
NOX4 Q9NPH5 1/20 0.66
DUOX2 Q9NRD8 1/20 0.66
DUOX1 Q9NRD9 1/20 0.66
NOX1 Q9Y5S8 1/20 0.66
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
PKM P14618 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL29490371 1.00 CYBB (0.66) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL15313075 0.85 CYBB (0.69) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4941814 0.80 KDM1A (0.66) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL16560732 0.80 CYBB (0.63) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL29368383 0.79 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL2027831 0.79 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4918509 0.77 CYBB (0.57) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4930461 0.77 CYBB (0.57) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL17210872 0.74 CYBB (0.67) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4922738 0.72 ALDH1A1 (0.64) ALDH1A1NPSR1PKMTSHRKDM4E

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
US-12239655-B2 Combined modalities for nucleosides and/or NADPH oxidase (NOX) inhibitors as myeloid-specific antiviral agents EMORY UNIVERSITY (US) 2025-03-04 US claimed
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
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-20120315303-A1 METHODS AND INTRAVASCULAR TREATMENT DEVICES USING PACLITAXEL FOR TREATMENT OF ATHEROSCLEROSIS MEDTRONIC VASCULAR, INC. (US) 2012-12-13 US disclosed
US-20120315303-A1 METHODS AND INTRAVASCULAR TREATMENT DEVICES USING PACLITAXEL FOR TREATMENT OF ATHEROSCLEROSIS MEDTRONIC VASCULAR, INC. (US) 2012-12-13 US 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-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 (4 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-20120315303-A1 METHODS AND INTRAVASCULAR TREATMENT DEVICES USING PACLITAXEL FOR TREATMENT OF ATHEROSCLEROSIS PCSK9, PLAT, PCSK7 CYBB 1629/4885NOX5 2788/4885NOX4 622/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D CYBB 4563/4885NOX5 4744/4885NOX4 4499/4885
US-12239655-B2 Combined modalities for nucleosides and/or NADPH oxidase (NOX) inhibitors as myeloid-specific antiviral agents NOX1, NOX3, NOX4 CYBB 6/4885NOX5 4/4885NOX4 3/4885
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.