SCHEMBL4471715

SCHEMBL4471715

NC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c[nH]c1NC(=O)CCC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 9/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4481101 0.87 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4483946 0.83 CYP1A2 (0.48) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4470895 0.78 DYRK1A (0.48) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4470289 0.75 POLB (0.43) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4465328 0.75 LMNA (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4482798 0.73 TSHR (0.41) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4477288 0.70 TSHR (0.47) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL4475436 0.69 GSK3B (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL27691500 0.69 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3704915 0.62 KMT2A (0.66) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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 SMN1; SMN2 2756/4885ALDH1A1 282/4885MAPT 4385/4885

“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.