SCHEMBL2380065

SCHEMBL2380065

N#Cc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTT P42858 1/20 0.61
PDK1 Q15118 1/20 0.60
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
DYRK1A Q13627 1/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
KMT2A Q03164 4/20 0.52
RIPK1 Q13546 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL31215568 0.88 RIPK1 (0.52) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL12652580 0.81 SCD (0.50) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11334470 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
Water SCHEMBL27718168 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL137699 0.78 HTT (0.45) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL13996301 0.78 MAOB (0.45) ALDH1A1HTTCA2DYRK1AKMT2A
SCHEMBL1636840 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL15794568 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
Nitrogen SCHEMBL28651597 0.77 ALDH1A1 (0.94) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11157181 0.77 DYRK1A (0.64) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024238406-A1 FUROPYRIDINE COMPOUNDS AS P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-11-21 WO disclosed
EP-3658544-B1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIV CAPE TOWN (ZA) 2024-07-31 EP disclosed
US-11149034-B2 Derivatives of luciferin and methods for their synthesis UNIVERSITY OF CAPE TOWN (ZA) 2021-10-19 US disclosed
US-11149034-B2 Derivatives of luciferin and methods for their synthesis UNIVERSITY OF CAPE TOWN (ZA) 2021-10-19 US disclosed
US-20200331902-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIVERSITY OF CAPE TOWN (ZA) 2020-10-22 US disclosed
US-20200331902-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIVERSITY OF CAPE TOWN (ZA) 2020-10-22 US disclosed
EP-3658544-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS University of Cape Town (ZA) 2020-06-03 EP disclosed
WO-2019021202-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIVERSITY OF CAPE TOWN (ZA) 2019-01-31 WO 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-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
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (5 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-20200331902-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS GLB1, DBNL, GLO1 SMN1; SMN2 4829/4885ALDH1A1 747/4885CYP3A4 724/4885
US-20110224442-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS HCCS, HLCS, GLUL SMN1; SMN2 4724/4885ALDH1A1 2394/4885CYP3A4 754/4885
US-20110213124-A1 METHODS AND SYSTEMS FOR SYNTHESIS OF A D-AMINOLUCIFERIN PRECURSOR AND RELATED COMPOUNDS HCCS, HLCS, GLUL SMN1; SMN2 4724/4885ALDH1A1 2394/4885CYP3A4 754/4885
US-11149034-B2 Derivatives of luciferin and methods for their synthesis GLB1, DBNL, GLO1 SMN1; SMN2 4829/4885ALDH1A1 747/4885CYP3A4 724/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 SMN1; SMN2 4591/4885ALDH1A1 983/4885CYP3A4 91/4885

“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.