SCHEMBL3336352

SCHEMBL3336352

O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
POLB P06746 6/20 0.65
HTT P42858 1/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
MAPT P10636 3/20 0.57
RXFP1 Q9HBX9 1/20 0.55
KMT2A Q03164 2/20 0.55
PSMD14 O00487 1/20 0.55
USP2 O75604 1/20 0.55
PRNP P04156 1/20 0.55
MMP2 P08253 1/20 0.55
PTPN7 P35236 1/20 0.55
PPARG P37231 1/20 0.55
RECQL P46063 1/20 0.55
PPP1CA P62136 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55

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
SCHEMBL10389607 0.83 RXFP1 (0.58) KDM4ESMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL3334674 0.83 ALOX5 (0.53) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL10390978 0.80 ALDH1A1 (0.74) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL10391047 0.78 POLB (0.76) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL3333008 0.78 KMT2A (0.60) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL11939524 0.78 PIK3C2B (0.58) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL3339251 0.78 KDM4E (0.48) KDM4ESMN1; SMN2POLBALDH1A1MAPT
SCHEMBL3335646 0.77 PIK3C2B (0.49) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL3331931 0.77 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2POLBHTTALDH1A1
SCHEMBL10389914 0.75 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2POLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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 (3 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885SMN1; SMN2 4310/4885POLB 2256/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC KDM4E 1415/4885SMN1; SMN2 4353/4885POLB 4843/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885SMN1; SMN2 4310/4885POLB 2256/4885

“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.