SCHEMBL2379405

SCHEMBL2379405

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 2/20 0.64
TSHR P16473 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
PDK1 Q15118 1/20 0.62
CA2 P00918 2/20 0.62
CA5A P35218 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.60
DYRK1A Q13627 1/20 0.58
ACP1 P24666 1/20 0.55
KMT2A Q03164 2/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.52
STAT1 P42224 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL4940843 0.87 SMN1; SMN2 (0.66) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL9798029 0.85 DYRK1A (0.65) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL4939716 0.82 DYRK1A (0.61) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL30916109 0.80 CA1 (0.57) ALDH1A1TDP1CA2SMN1; SMN2KMT2A
SCHEMBL3080605 0.80 CA1 (0.57) ALDH1A1TDP1CA2SMN1; SMN2KMT2A
SCHEMBL28930490 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL22130133 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL27566837 0.79 DYRK1A (0.76) ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2
SCHEMBL2380048 0.79 SMN1; SMN2 (0.59) ALDH1A1CYP3A4TSHRTDP1PDK1
SCHEMBL334808 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-4369324-A Process for the preparation of 2-amino-6-nitrobenzothiazole BAYER AKTIENGESELLSCHAFT (DE) 1983-01-18 US 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 ALDH1A1 2394/4885CYP3A4 754/4885TSHR 3773/4885
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS HCCS, HLCS, GLUL ALDH1A1 2394/4885CYP3A4 754/4885TSHR 3773/4885

“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.