SCHEMBL3049997

SCHEMBL3049997

CC(Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.71
CRHR2 Q13324 1/20 0.71
ALDH1A1 P00352 10/20 0.60
MAPT P10636 10/20 0.60
HTR6 P50406 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 2/20 0.53
MAPK1 P28482 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP7 P55210 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
RECQL P46063 1/20 0.52
HTT P42858 3/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 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
SCHEMBL10484120 0.89 CRHBP (0.58) CRHBPCRHR2ALDH1A1MAPTHTR6
SCHEMBL30274042 0.82 HCAR3 (0.55) CRHBPCRHR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL103504 0.82 HCAR3 (0.55) CRHBPCRHR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5021179 0.82 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1MAPTHTR6
SCHEMBL14247611 0.82 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1MAPTHTR6
SCHEMBL16756291 0.82 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1MAPTHTR6
SCHEMBL14247380 0.82 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1MAPTHTR6
Ammonia Solution, Strong SCHEMBL28179606 0.81 HCAR3 (0.54) CRHBPCRHR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30128459 0.79 KMT2A (0.53) CRHBPCRHR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL128849 0.79 KMT2A (0.53) CRHBPCRHR2ALDH1A1MAPTSMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
CN-111704579-A Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2020-09-25 CN disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 EP disclosed
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 EP disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2861590-A1 COMPOUND AS WNT SIGNALING INHIBITOR, COMPOSITION, AND USE THEREOF Curegenix Inc. (CN) 2015-04-22 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
EP-2479282-A1 Media including nitroreductase enzymatic substrates bioMérieux (FR) 2012-07-25 EP disclosed
US-8216800-B2 Substrates for detecting peptidase activity and methods using the substrates BIOMERIEUX (FR) 2012-07-10 US disclosed
EP-2471944-A1 Novel peptidase substrates bioMérieux (FR) 2012-07-04 EP disclosed
US-8211662-B2 Nitroreductase enzymatic substrates BIOMERIEUX (FR) 2012-07-03 US disclosed
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-09-02 US disclosed
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-04-22 US disclosed
EP-2155892-A2 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-02-24 EP disclosed
EP-2155893-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-02-24 EP disclosed
WO-2008152306-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2008-12-18 WO disclosed
WO-2008152305-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2008-12-18 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 (3 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA CRHBP 3018/4885CRHR2 4315/4885ALDH1A1 317/4885
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, XDH CRHBP 2080/4885CRHR2 1119/4885ALDH1A1 576/4885
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES XPNPEP1, DPEP1, DDAH1 CRHBP 749/4885CRHR2 1463/4885ALDH1A1 3548/4885

“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.