SCHEMBL4331798

SCHEMBL4331798

O=[N+]([O-])c1cccc(-c2nnc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
IDO1 P14902 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GUSB P08236 1/20 0.49
TSHR P16473 1/20 0.48
MMP13 P45452 2/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MGAM O43451 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
SCHEMBL17673804 0.80 MAPT (0.51) MAPTLMNAIDO1RAB9AMEN1
SCHEMBL28064989 0.79 MAPT (0.50) MAPTLMNAIDO1RAB9AMEN1
SCHEMBL18024778 0.76 MAPT (0.61) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL6738366 0.75 TSHR (0.76) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL3164611 0.75 MAPT (0.57) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL29703894 0.75 MAPT (0.57) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL1655585 0.75 MAPT (0.56) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL10119735 0.74 MAPT (0.59) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL31429154 0.74 MAPT (0.55) MAPTLMNAIDO1SMN1; SMN2RAB9A
SCHEMBL11392466 0.73 TSHR (0.73) MAPTLMNAIDO1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023033681-A1 SUBSTITUTED 2-(5-ARYL-4 H-1,2,4-TRIAZOL-3-YL)ETHANAMINES AS MODULATORS OF TRACE AMINE-ASSOCIATED RECEPTOR 1 (TAAR1) LIMITED LIABILITY COMPANY «EXCELLENA RESEARCH AND DEVELOPMENT» (LLC «EXCELLENA») (RU) 2023-03-09 WO claimed
WO-2023033681-A1 SUBSTITUTED 2-(5-ARYL-4 H-1,2,4-TRIAZOL-3-YL)ETHANAMINES AS MODULATORS OF TRACE AMINE-ASSOCIATED RECEPTOR 1 (TAAR1) LIMITED LIABILITY COMPANY «EXCELLENA RESEARCH AND DEVELOPMENT» (LLC «EXCELLENA») (RU) 2023-03-09 WO disclosed
CN-103787992-B N, N-disubstituted benzene nitrogen heterocyclic-2-aminated compounds and uses thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-20 CN disclosed
CN-103787992-A N,N-double substituted benzoazacyclo-2-amide compound and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-05-14 CN disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 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 (7 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885LMNA 4509/4885IDO1 4236/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 MAPT 1167/4885LMNA 4511/4885IDO1 4359/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 MAPT 740/4885LMNA 4539/4885IDO1 4172/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 MAPT 780/4885LMNA 4509/4885IDO1 4236/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885LMNA 4509/4885IDO1 4236/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885LMNA 4509/4885IDO1 4236/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885LMNA 4509/4885IDO1 4236/4885

“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.