SCHEMBL15213475

SCHEMBL15213475

O=[N+]([O-])c1cccc(C2Nc3ccc([N+](=O)[O-])cc3C3C=CCC32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 1.00
USP7 Q93009 2/20 0.85
HPN P05981 2/20 0.84
NR4A1 P22736 3/20 0.79
GAPDH P04406 1/20 0.62
HSPA1A P0DMV8 1/20 0.62
HSPA8 P11142 1/20 0.62
CD44 P16070 1/20 0.62
MSN P26038 1/20 0.62
PTPN7 P35236 1/20 0.62
EZH2 Q15910 1/20 0.62
AR P10275 2/20 0.48
CHRNA7 P36544 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
GRK6 P43250 1/20 0.47
HSPD1 P10809 1/20 0.47
HSPE1 P61604 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
SCHEMBL31277265 1.00 CYBB (1.00) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL16406028 0.92 USP7 (1.00) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL2031914 0.91 HPN (1.00) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL14979491 0.91 CYBB (0.84) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL16406027 0.91 CYBB (0.84) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL15213460 0.91 CYBB (0.83) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL25602307 0.90 USP7 (0.87) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL13856206 0.89 NR4A1 (1.00) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL18134628 0.89 CYBB (0.79) CYBBUSP7HPNNR4A1GAPDH
SCHEMBL15213476 0.86 USP7 (0.77) CYBBUSP7HPNNR4A1GAPDH

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-9567347-B2 Use of small molecule inhibitors targeting the interaction between RAC GTPase and p67(phox) CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-02-14 US disclosed
US-20160297835-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING THE INTERACTION BETWEEN RAC GTPASE AND P67(PHOX) CHILDREN'S HOSPITAL MEDICAL CENTER 2016-10-13 US disclosed
US-9453022-B2 Use of small molecule inhibitors targeting the interaction between Rac GTPase and p67 (phox) CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-09-27 US disclosed
US-9334284-B2 2016-05-10 US disclosed
US-20150025067-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING THE INTERACTION BETWEEN RAC GTPASE AND P67 (PHOX) CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-01-22 US disclosed
WO-2013123081-A2 USE OF SMALL MOLECULE INHIBITORS TARGETING THE INTERACTION BETWEEN RAC GTPASE AND P67 (PHOX) CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2013-08-22 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-20160297835-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING THE INTERACTION BETWEEN RAC GTPASE AND P67(PHOX) RAC1, ARHGDIB, NOXO1 CYBB 49/4885USP7 547/4885HPN 2261/4885
US-20150025067-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING THE INTERACTION BETWEEN RAC GTPASE AND P67 (PHOX) RAC1, ARHGDIB, NOXO1 CYBB 49/4885USP7 547/4885HPN 2261/4885

“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.