SCHEMBL4470895

SCHEMBL4470895

CC(=O)Nc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.48
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
RAB9A P51151 1/20 0.43
KMT2A Q03164 6/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4465328 0.87 LMNA (0.46) DYRK1AKMT2ATSHRMEN1MAPT
SCHEMBL4483946 0.85 CYP1A2 (0.48) DYRK1ACSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL4470289 0.85 POLB (0.43) DYRK1ACSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL4476072 0.83 DYRK1A (0.37) DYRK1ACSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL4486233 0.83 PKM (0.37) DYRK1ARAB9ATSHRMAPTSMN1; SMN2
SCHEMBL4482798 0.82 TSHR (0.41) DYRK1AKMT2ATSHRMEN1MAPT
SCHEMBL4477288 0.79 TSHR (0.47) DYRK1AKMT2ATSHRMEN1MAPT
SCHEMBL4482796 0.78 KDR (0.53) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4490967 0.78 NPC1 (0.54) DYRK1ARAB9AKMT2ATSHRMEN1
SCHEMBL4471715 0.78 SMN1; SMN2 (0.51) RAB9AKMT2AMEN1MAPTGAA

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-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
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 1057/4885CSNK2A2 2766/4885CSNK2B 3149/4885

“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.