SCHEMBL2124122

SCHEMBL2124122

O=[N+]([O-])c1ccc2[nH]c(Cc3ccccc3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
RIPK1 Q13546 1/20 0.56
F2 P00734 2/20 0.52
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CTSV O60911 3/20 0.45
CTSL P07711 3/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPBWR1 P48145 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL1122279 0.89 RIPK1 (0.60) CYP19A1RIPK1F2GRIN1GRIN2B
SCHEMBL2125302 0.87 CYP19A1 (0.58) CYP19A1RIPK1F2CTSVCTSL
SCHEMBL6991293 0.86 CYP19A1 (0.47) CYP19A1RIPK1F2GRIN1GRIN2B
SCHEMBL6993216 0.86 CYP1A2 (0.49) CYP19A1RIPK1MAPTSMN1; SMN2MEN1
SCHEMBL27964336 0.84 MEN1 (0.53) CYP19A1RIPK1GRIN1GRIN2BMAPT
SCHEMBL7492164 0.82 MEN1 (0.57) CYP19A1RIPK1MEN1KMT2AALDH1A1
SCHEMBL27532988 0.80 CYP19A1 (0.55) CYP19A1CTSVCTSLMAPTKDM4E
SCHEMBL2266501 0.80 GRIN1 (0.45) CYP19A1RIPK1GRIN1GRIN2BCTSV
SCHEMBL23320461 0.79 CYP19A1 (0.54) CYP19A1CTSVCTSLMAPTKDM4E
SCHEMBL5828718 0.79 CYP19A1 (0.54) CYP19A1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871948-B2 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-10-28 US disclosed
EP-2444392-B1 Intermediary (aza)indole derivative substituted in position 5 ACRAF (IT) 2014-09-24 EP disclosed
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR AZIENDE CHIMICHE RIUNITE ANGELIN FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-06-20 US disclosed
EP-2234968-B1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR ACRAF (IT) 2013-03-27 EP disclosed
CN-101466709-B 1,5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC 2013-03-20 CN disclosed
US-8399477-B2 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESO A.C.R.A.F. S.P.A. (IT) 2013-03-19 US disclosed
CN-101910127-B (AZA) INDOLE DERIVATIVE SUBSTITUTED IN THE 5 POSITION, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, INTERMEDIATE COMPOUND AND PROCESS FOR PREPARING THE SAME ACRAF 2013-01-23 CN disclosed
EP-2444392-A1 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2012-04-25 EP disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
CN-101910127-A (AZA) INDOLE DERIVATIVE SUBSTITUTED IN THE 5 POSITION, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, INTERMEDIATE COMPOUND AND PROCESS FOR PREPARING THE SAME ACRAF 2010-12-08 CN disclosed
US-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR Aziende Chim. Riun.Ang.Franc. A.C.R.A.F.S.P.A. (IT) 2010-11-11 US disclosed
CN-101466709-A 1, 5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2009-06-24 CN disclosed
EP-2010527-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2009-01-07 EP disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885RIPK1 3391/4885F2 1407/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885RIPK1 3391/4885F2 1407/4885
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 CYP19A1 680/4885RIPK1 1445/4885F2 2566/4885

“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.