SCHEMBL3339251

SCHEMBL3339251

O=C(Nc1cccc(-c2ccc3nnc(-c4ccc[nH]4)n3n2)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TDP2 O95551 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MET P08581 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3334674 0.89 ALOX5 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL11939524 0.85 PIK3C2B (0.58) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL14134187 0.84 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3335646 0.84 PIK3C2B (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3332034 0.81 SMN1; SMN2 (0.63) KDM4EALDH1A1KMT2AMAPTPOLB
SCHEMBL3334332 0.80 SMN1; SMN2 (0.54) KDM4EALDH1A1KMT2AMAPTPOLB
SCHEMBL14134366 0.79 SMN1; SMN2 (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3336352 0.78 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3333008 0.73 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14134186 0.72 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1MAPT

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 13 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-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 WO 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 1924/4885ALDH1A1 4507/4885KMT2A 1524/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC KDM4E 1415/4885ALDH1A1 415/4885KMT2A 1909/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885ALDH1A1 4507/4885KMT2A 1524/4885

“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.