SCHEMBL2124014

SCHEMBL2124014

CCOC(=O)CCn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.44
GSK3B P49841 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2125852 0.95 CYP19A1 (0.56) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2126096 0.90 CYP19A1 (0.57) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2125127 0.90 CYP19A1 (0.50) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2125130 0.87 CYP19A1 (0.48) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2900943 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL2123334 0.85 ALDH1A1 (0.67) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2124069 0.84 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL2125206 0.82 CYP19A1 (0.60) CYP19A1IRAK4ALDH1A1MAPTRAB9A
SCHEMBL2125463 0.82 CYP19A1 (0.58) CYP19A1ALDH1A1MAPTRAB9ANPC1
SCHEMBL30943220 0.82 CYP19A1 (0.67) CYP19A1IRAK4ALDH1A1MAPTNPSR1

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 12 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
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
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
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
EP-2078711-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) 2009-07-15 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 CYP19A1 28/4885IRAK4 4036/4885ALDH1A1 582/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885IRAK4 4036/4885ALDH1A1 582/4885

“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.