SCHEMBL2125305

SCHEMBL2125305

C/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.61
KMT2A Q03164 15/20 0.61
MEN1 O00255 14/20 0.61
ALDH1A1 P00352 8/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HSP90AA1 P07900 1/20 0.61
GAA P10253 7/20 0.58
HTT P42858 4/20 0.58
GFER P55789 2/20 0.58
MAPK1 P28482 1/20 0.58
NPC1 O15118 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
THRB P10828 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX12 P18054 1/20 0.57
MMP14 P50281 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 4/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL5828914 1.00 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2125308 1.00 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1465068 0.82 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1465069 0.82 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1465067 0.82 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8940259 0.80 GAA (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8940260 0.80 GAA (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14700455 0.80 GAA (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8590930 0.79 KMT2A (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8590931 0.79 KMT2A (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-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
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
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
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-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
EP-2234968-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) 2010-10-06 EP disclosed
WO-2009083436-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) 2009-07-09 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-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 MAPT 3775/4885KMT2A 1124/4885MEN1 860/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 MAPT 3775/4885KMT2A 1124/4885MEN1 860/4885

“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.