SCHEMBL2380048

SCHEMBL2380048

CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 3/20 0.59
KMT2A Q03164 5/20 0.57
PDK1 Q15118 1/20 0.54
DYRK1A Q13627 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACP1 P24666 1/20 0.52
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
RIPK1 Q13546 1/20 0.51
MAPT P10636 5/20 0.51
NOD2 Q9HC29 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.49
MAOB P27338 1/20 0.49
STAT1 P42224 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL20746466 0.90 ACP1 (0.52) SMN1; SMN2HTTKMT2AALDH1A1ACP1
SCHEMBL4939716 0.86 DYRK1A (0.61) SMN1; SMN2HTTKMT2APDK1DYRK1A
SCHEMBL20764179 0.82 MAPT (0.64) SMN1; SMN2KMT2AALDH1A1CYP3A4CA2
SCHEMBL4301852 0.82 KMT2A (0.54) SMN1; SMN2HTTKMT2ADYRK1AALDH1A1
SCHEMBL17038164 0.81 PTPN1 (0.59) SMN1; SMN2KMT2ADYRK1AALDH1A1ACP1
SCHEMBL9798029 0.81 DYRK1A (0.65) SMN1; SMN2HTTKMT2APDK1DYRK1A
SCHEMBL13805533 0.80 HSD17B1 (0.55) SMN1; SMN2CYP3A4MAPTMAOBSTAT1
SCHEMBL17038135 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1CA2MAPT
SCHEMBL4940843 0.80 SMN1; SMN2 (0.66) SMN1; SMN2HTTKMT2APDK1DYRK1A
SCHEMBL11161571 0.80 KMT2A (0.73) SMN1; SMN2HTTKMT2ADYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586759-B2 Methods and systems for synthesis of a D-aminoluciferin precursor and related compounds LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2013-11-19 US claimed
US-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (LLNS) 2011-09-15 US claimed
US-8586759-B2 Methods and systems for synthesis of a D-aminoluciferin precursor and related compounds LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2013-11-19 US disclosed
US-8586759-B2 Methods and systems for synthesis of a D-aminoluciferin precursor and related compounds LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2013-11-19 US disclosed
US-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (LLNS) 2011-09-15 US disclosed
US-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (LLNS) 2011-09-15 US disclosed
US-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (LLNS) 2011-09-15 US disclosed
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2011-09-01 US disclosed
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2011-09-01 US disclosed
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2011-09-01 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS HCCS, HLCS, GLUL SMN1; SMN2 4724/4885HTT 3672/4885KMT2A 4121/4885
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS HCCS, HLCS, GLUL SMN1; SMN2 4724/4885HTT 3672/4885KMT2A 4121/4885

“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.