SCHEMBL4475882

SCHEMBL4475882

NC(=O)c1c(-c2ccc([N+](=O)[O-])nc2)c[nH]c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.36
MAPT P10636 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
MAP3K11 Q16584 2/20 0.36
LMNA P02545 1/20 0.36
MKNK2 Q9HBH9 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK1 P49759 2/20 0.32
CDC7 O00311 2/20 0.32
PLK4 O00444 2/20 0.32
CHEK1 O14757 2/20 0.32
MAPK13 O15264 2/20 0.32
PDPK1 O15530 2/20 0.32
DYRK3 O43781 2/20 0.32

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
SCHEMBL4476072 0.81 DYRK1A (0.37) DYRK1AMAPTDYRK1BMAP3K11MEN1
SCHEMBL4477288 0.81 TSHR (0.47) DYRK1AMAPTDYRK1BLMNAMEN1
SCHEMBL4473223 0.78 IKBKB (0.36) DYRK1AMAPTDYRK1BLMNAMEN1
SCHEMBL22086338 0.70 HTT (0.47) DYRK1AMAPTLMNAMKNK1CAMKK2
SCHEMBL20898163 0.70 HTT (0.47) DYRK1AMAPTLMNAMKNK1CAMKK2
SCHEMBL5684639 0.69 ALOX15 (0.47) MAPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL11619191 0.69 NNMT (0.53) MAPTLMNACYP3A4POLBKDM4E
SCHEMBL7089229 0.68 ALDH1A1 (0.45) MAPTLMNAMEN1CYP1A2CYP3A4
SCHEMBL29071558 0.65 AKT2 (0.43) MAPTLMNACHEK1ROCK2ABL1
SCHEMBL4050124 0.65 TDP1 (0.50) MAPTLMNAMKNK2MKNK1MEN1

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-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
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 DYRK1A 1057/4885MAPT 4385/4885DYRK1B 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.