SCHEMBL4472065

SCHEMBL4472065

CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
GSK3B P49841 1/20 0.57
NPC1 O15118 2/20 0.55
GLA P06280 1/20 0.54
PKM P14618 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
LMNA P02545 1/20 0.50
HSD11B1 P28845 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP8 P22894 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL23728052 0.85 GSK3B (0.59) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL255269 0.83 GSK3B (0.61) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL8980467 0.81 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL29185502 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL279440 0.81 MAPK1 (0.63) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL28007433 0.80 MAPT (0.62) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL2293183 0.80 GSK3B (0.57) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL11510574 0.80 GSK3B (0.71) ALDH1A1MEN1KMT2AMAPK1GSK3B
SCHEMBL12503662 0.80 GSK3B (0.53) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL255479 0.79 GSK3B (0.61) ALDH1A1MEN1KMT2AMAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745823-A Preparation method and application of compound 武夷学院 2023-03-07 CN claimed
CN-108658777-A A kind of synthetic method of paranitrobenzoic acid 四川武胜春瑞医药化工有限公司 2018-10-16 CN claimed
CN-115745823-B Preparation method and application of compound 武夷学院 2024-02-23 CN disclosed
CN-115745823-A Preparation method and application of compound 武夷学院 2023-03-07 CN disclosed
CN-108658777-A A kind of synthetic method of paranitrobenzoic acid 四川武胜春瑞医药化工有限公司 2018-10-16 CN disclosed
US-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 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
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
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
WO-1995004053-A1 UREA AND THIOUREA DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1995-02-09 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 (2 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 282/4885MEN1 2028/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS SMN1; SMN2 4810/4885ALDH1A1 1595/4885MEN1 3545/4885

“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.