SCHEMBL3660283

SCHEMBL3660283

O=C(O)Cn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
CYP19A1 P11511 2/20 0.62
ALDH1A1 P00352 1/20 0.51
CCR2 P41597 2/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 2/20 0.46
AHR P35869 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
NR1I2 O75469 1/20 0.44
MAPT P10636 2/20 0.44
F2R P25116 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
MAPK1 P28482 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
SCHEMBL2123334 0.89 ALDH1A1 (0.67) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL2125206 0.85 CYP19A1 (0.60) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL2126096 0.85 CYP19A1 (0.57) L3MBTL1CYP19A1ALDH1A1KMT2APOLB
SCHEMBL2122743 0.85 CYP19A1 (0.66) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL2421702 0.84 CYP19A1 (0.69) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL2900943 0.84 CYP19A1 (0.65) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL2124888 0.82 CYP19A1 (0.63) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL16087011 0.82 CYP19A1 (0.66) L3MBTL1CYP19A1ALDH1A1CCR2KMT2A
SCHEMBL23320526 0.80 CYP19A1 (0.67) L3MBTL1CYP19A1CCR2KMT2ALMNA
SCHEMBL1252366 0.80 CCR2 (0.51) CYP19A1ALDH1A1CCR2KMT2ALMNA

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-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 (1 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-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 L3MBTL1 4334/4885CYP19A1 28/4885ALDH1A1 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.