SCHEMBL6713030

SCHEMBL6713030

O=[N+]([O-])c1ccc(NCCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 6/20 0.58
PTPRF P10586 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.54
TRPA1 O75762 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CDK2 P24941 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4628072 0.90 HPGD (0.62) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL6712518 0.88 MAPT (0.63) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL14117517 0.86 ALDH1A1 (0.66) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL18549022 0.86 ALDH1A1 (0.66) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL1163856 0.84 SIGMAR1 (0.65) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL1163877 0.84 SIGMAR1 (0.65) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL28121312 0.81 PTPRF (0.71) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL8100059 0.81 SIGMAR1 (0.67) ALDH1A1MAPTHPGDSIGMAR1L3MBTL1
SCHEMBL4951837 0.81 ALDH1A1 (0.73) ALDH1A1MAPTPTPRFPTPN2PTPN1
SCHEMBL6964849 0.79 MEN1 (0.72) PTPRFPTPN2PTPN1PTPN11MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ALDH1A1 404/4885MAPT 3514/4885PTPRF 2713/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MAPT 3514/4885PTPRF 2713/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MAPT 3514/4885PTPRF 2713/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MAPT 3514/4885PTPRF 2713/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MAPT 3514/4885PTPRF 2713/4885

“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.