SCHEMBL2125463

SCHEMBL2125463

CC(=O)OCCCn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.58
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.46
F2RL3 Q96RI0 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
F2R P25116 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL2900943 0.85 CYP19A1 (0.65) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL2125852 0.84 CYP19A1 (0.56) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL2125206 0.84 CYP19A1 (0.60) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL2124888 0.83 CYP19A1 (0.63) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL30943220 0.83 CYP19A1 (0.67) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL2123821 0.83 CYP19A1 (0.67) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL2123801 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL2123334 0.82 ALDH1A1 (0.67) CYP19A1MEN1KMT2AALDH1A1F2RL3
SCHEMBL2124014 0.82 CYP19A1 (0.59) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL2122743 0.81 CYP19A1 (0.66) CYP19A1MEN1KMT2AALDH1A1F2RL3

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 10 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
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 28/4885MEN1 860/4885KMT2A 1124/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885MEN1 860/4885KMT2A 1124/4885

“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.