SCHEMBL2124303

SCHEMBL2124303

O=[N+]([O-])c1ccc2[nH]c(C3CCCCC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
CYP19A1 P11511 2/20 0.49
RIPK1 Q13546 1/20 0.48
RAB9A P51151 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
TXN P10599 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HRH4 Q9H3N8 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
NOS1 P29475 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL1465497 0.93 CYP19A1 (0.52) CYP19A1RIPK1SIRT2MAPTMEN1
SCHEMBL14447532 0.76 RAB9A (0.55) HSP90AA1RIPK1RAB9ASIRT2TXN
SCHEMBL23010726 0.74 RAB9A (0.53) HSP90AA1RIPK1RAB9ASIRT2TXN
Fumaric Acid SCHEMBL7867955 0.74 HRH4 (0.44) CYP19A1ALDH1A1LMNAHRH4NPSR1
Maleic Acid SCHEMBL7867946 0.74 HRH4 (0.44) CYP19A1ALDH1A1LMNAHRH4NPSR1
Fumaric Acid SCHEMBL7867951 0.74 HRH4 (0.44) CYP19A1ALDH1A1LMNAHRH4NPSR1
SCHEMBL1463711 0.74 CYP19A1 (0.42) CYP19A1RAB9AMAPTMEN1KMT2A
SCHEMBL24906160 0.74 KDM4E (0.50) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL13596580 0.73 CYP19A1 (0.48) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL1673078 0.73 CYP19A1 (0.76) CYP19A1RAB9AMAPTMEN1KMT2A

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
CN-117677657-A Compound, rubber blend comprising the compound, vehicle tyre comprising the rubber blend in at least one component, method for producing the compound and use of the compound as an ageing protectant and/or antiozonant and/or dye 大陆轮胎德国有限公司 2024-03-08 CN disclosed
WO-2023001339-A1 COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGEING PROTECTANT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-01-26 WO disclosed
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-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 HSP90AA1 4544/4885CYP19A1 28/4885RIPK1 3391/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 HSP90AA1 4544/4885CYP19A1 28/4885RIPK1 3391/4885

“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.