SCHEMBL6609282

SCHEMBL6609282

O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
MAPT P10636 6/20 0.58
HPGD P15428 1/20 0.58
SIRT6 Q8N6T7 2/20 0.55
EED O75530 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
ADRB1 P08588 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL27806905 0.84 MEN1 (0.81) MEN1KMT2AMAPTHPGDEED
SCHEMBL29269248 0.81 MEN1 (0.68) MEN1KMT2AMAPTSIRT6EED
SCHEMBL15238463 0.81 MEN1 (0.68) MEN1KMT2AMAPTSIRT6EED
SCHEMBL7302022 0.81 MEN1 (0.67) MEN1KMT2AMAPTHPGDSIRT6
SCHEMBL30768149 0.80 MEN1 (0.67) MEN1KMT2AMAPTSIRT6KDM4E
SCHEMBL29201123 0.80 MEN1 (0.67) MEN1KMT2AMAPTSIRT6KDM4E
SCHEMBL7995398 0.79 KMT2A (0.65) MEN1KMT2AMAPTSIRT6ALDH1A1
SCHEMBL12218463 0.79 MEN1 (0.64) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL3025176 0.79 MAPT (0.68) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL27337004 0.77 MAPT (0.70) MEN1KMT2AMAPTSIRT6RAB9A

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-102627604-B Two class isoquinoline compounds and as the application preparing cancer therapy drug NORTHWEST A & F UNIVERSITY (CN) 2015-12-09 CN claimed
CN-102627604-B Two class isoquinoline compounds and as the application preparing cancer therapy drug NORTHWEST A & F UNIVERSITY (CN) 2015-12-09 CN disclosed
CN-102627604-A Two types of isoquinoline compounds and application thereof to preparing anti-cancer medicaments UNIV NORTHWEST A&F 2012-08-08 CN disclosed
CN-101759637-B N-aryl-3,4-dihydro-isoquinoline salt and application thereof in preparing acaricidal and antibiotic medicament NORTHWEST A & F UNIVERSITY (CN) 2012-02-01 CN disclosed
CN-101759637-A N-aryl-3,4-dihydro-isoquinoline salt and application thereof in preparing acaricidal and antibiotic medicament UNIV NORTHWEST A&F 2010-06-30 CN disclosed
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 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 (5 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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MEN1 3604/4885KMT2A 674/4885MAPT 3514/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MEN1 3604/4885KMT2A 674/4885MAPT 3514/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MEN1 3604/4885KMT2A 674/4885MAPT 3514/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MEN1 3604/4885KMT2A 674/4885MAPT 3514/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MEN1 3604/4885KMT2A 674/4885MAPT 3514/4885

“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.