SCHEMBL6713019

SCHEMBL6713019

CC(C)Oc1ccc(NC(=O)Nc2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
LMNA P02545 4/20 0.62
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.47
EPHX2 P34913 2/20 0.44
MAPK1 P28482 1/20 0.44
SLC2A1 P11166 1/20 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
SCHEMBL6712490 0.91 MAPT (0.51) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6712765 0.81 ALDH1A1 (0.52) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL30417118 0.79 SMN1; SMN2 (0.67) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6713011 0.78 MCHR1 (0.54) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL22455983 0.76 MAPT (0.62) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6714546 0.75 MCHR1 (0.48) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22456590 0.74 MAPT (0.66) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4003951 0.73 MAPT (0.59) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14523935 0.73 MAPT (0.53) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26234109 0.73 MAPT (0.64) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1

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.