SCHEMBL6712490

SCHEMBL6712490

CC(C)Oc1ccc(NC(=O)Nc2ccc(NCCN3CCCCC3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC2A1 P11166 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL6713019 0.91 MAPT (0.62) MAPTLMNAKMT2AMEN1POLB
SCHEMBL6713011 0.85 MCHR1 (0.54) MAPTLMNAKMT2AMEN1POLB
SCHEMBL14523935 0.83 MAPT (0.53) MAPTLMNAKMT2AMEN1POLB
SCHEMBL6712765 0.82 ALDH1A1 (0.52) MAPTLMNAKMT2AMEN1POLB
SCHEMBL4968403 0.81 MAPT (0.56) MAPTLMNAKMT2AMEN1POLB
SCHEMBL4968406 0.81 MAPT (0.56) MAPTLMNAKMT2AMEN1POLB
SCHEMBL6714546 0.78 MCHR1 (0.48) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL6715082 0.74 LMNA (0.67) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL14116634 0.74 MAPT (0.43) MAPTLMNAKMT2AMEN1POLB
SCHEMBL3999165 0.72 LMNA (0.53) MAPTLMNAKMT2APOLBSMN1; SMN2

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 MAPT 3514/4885LMNA 1397/4885KMT2A 674/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885KMT2A 674/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885KMT2A 674/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885KMT2A 674/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885KMT2A 674/4885

“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.