SCHEMBL2125394

SCHEMBL2125394

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.65
MAPT P10636 6/20 0.54
HTT P42858 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
ALDH1A1 P00352 4/20 0.45
F2RL3 Q96RI0 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
F2R P25116 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMARCA2 P51531 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.42
FTO Q9C0B1 1/20 0.42
HTR6 P50406 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL11555566 0.93 CYP19A1 (0.62) CYP19A1MAPTHTTRXFP1ALDH1A1
SCHEMBL30943220 0.84 CYP19A1 (0.67) CYP19A1MAPTALDH1A1F2RL3L3MBTL1
SCHEMBL2123821 0.84 CYP19A1 (0.67) CYP19A1MAPTALDH1A1F2RL3L3MBTL1
SCHEMBL16087011 0.84 CYP19A1 (0.66) CYP19A1MAPTHTTALDH1A1F2RL3
SCHEMBL2122743 0.84 CYP19A1 (0.66) CYP19A1MAPTALDH1A1F2RL3L3MBTL1
SCHEMBL2421702 0.84 CYP19A1 (0.69) CYP19A1MAPTALDH1A1F2RL3L3MBTL1
SCHEMBL2900943 0.83 CYP19A1 (0.65) CYP19A1MAPTALDH1A1F2RL3L3MBTL1
SCHEMBL2123334 0.83 ALDH1A1 (0.67) CYP19A1MAPTHTTALDH1A1F2RL3
SCHEMBL2124888 0.82 CYP19A1 (0.63) CYP19A1MAPTHTTALDH1A1F2RL3
SCHEMBL2264810 0.81 MAPT (0.54) CYP19A1MAPTHTTRXFP1ALDH1A1

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 8 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-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

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 28/4885MAPT 3775/4885HTT 2124/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885MAPT 3775/4885HTT 2124/4885

“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.