SCHEMBL4482798

SCHEMBL4482798

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 1/20 0.40
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 7/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.38
MET P08581 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4470895 0.82 DYRK1A (0.48) TSHRDYRK1ADYRK1BGAALMNA
SCHEMBL4465328 0.80 LMNA (0.46) TSHRDYRK1ADYRK1BGAALMNA
SCHEMBL4477288 0.79 TSHR (0.47) TSHRDYRK1ADYRK1BGAALMNA
SCHEMBL4470289 0.78 POLB (0.43) TSHRDYRK1ADYRK1BGAALMNA
SCHEMBL4483946 0.78 CYP1A2 (0.48) TSHRDYRK1ADYRK1BLMNAMAPT
SCHEMBL4471715 0.73 SMN1; SMN2 (0.51) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10057754 0.68 NOTUM (0.39) MAPTPOLBKDM4E
SCHEMBL1925356 0.67 TSHR (0.50) TSHRGAALMNAMAPTKMT2A
SCHEMBL4476072 0.67 DYRK1A (0.37) DYRK1ADYRK1BGAAMAPTKMT2A
SCHEMBL182888 0.66 ALDH1A1 (0.57) GAALMNAMAPTKMT2AMEN1

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 5 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
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 TSHR 2348/4885DYRK1A 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.