SCHEMBL4473223

SCHEMBL4473223

N#Cc1c(-c2ccc([N+](=O)[O-])nc2)c[nH]c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.35
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK1 P49759 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAP4K4 O95819 1/20 0.30
TDO2 P48775 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NTRK1 P04629 2/20 0.30

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
SCHEMBL4482253 0.80 IKBKB (0.47) IKBKBDYRK1ADYRK1BMAPTLMNA
SCHEMBL4475882 0.78 DYRK1A (0.36) DYRK1ADYRK1BMAPTLMNAKDR
SCHEMBL3783457 0.68 KDM4E (0.48) MAPTLMNAKDRMEN1KMT2A
SCHEMBL5684639 0.68 ALOX15 (0.47) MAPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL6236169 0.68 ADORA1 (0.47) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7089229 0.67 ALDH1A1 (0.45) MAPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL4476072 0.65 DYRK1A (0.37) DYRK1ADYRK1BMAPTMEN1CYP1A2
SCHEMBL18269174 0.65 ADORA1 (0.35) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL22283897 0.65 ADORA1 (0.51) MAPTMEN1CYP1A2CYP3A4KMT2A
SCHEMBL29071558 0.64 AKT2 (0.43) MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
EP-1851198-B1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA SA (FR) 2008-12-31 EP disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
CN-101115716-A Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA SA (FR) 2008-01-30 CN disclosed
EP-1851198-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-11-07 EP disclosed
WO-2006084996-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-17 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 (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-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof PRMT1, ADPRS, RRM2B IKBKB 2543/4885DYRK1A 1057/4885DYRK1B 1072/4885

“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.