SCHEMBL6715082

SCHEMBL6715082

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 6/20 0.67
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
RECQL P46063 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CNR1 P21554 1/20 0.48
CA2 P00918 1/20 0.48
GLA P06280 1/20 0.48
MCL1 Q07820 1/20 0.47

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
SCHEMBL4117340 0.83 MAPT (0.56) LMNAMEN1KMT2AMAPTHTT
SCHEMBL29739485 0.83 ALDH1A1 (0.51) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6712125 0.81 MEN1 (0.81) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4112354 0.81 GLA (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4112213 0.80 MEN1 (0.80) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6813819 0.80 LMNA (1.00) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4126914 0.78 GLA (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6712765 0.77 ALDH1A1 (0.52) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4112840 0.77 GLA (0.63) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1456138 0.77 RAB9A (0.60) LMNAMEN1KMT2AMAPTHTT

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 LMNA 1397/4885MEN1 3604/4885KMT2A 674/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC LMNA 1397/4885MEN1 3604/4885KMT2A 674/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC LMNA 1397/4885MEN1 3604/4885KMT2A 674/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC LMNA 1397/4885MEN1 3604/4885KMT2A 674/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC LMNA 1397/4885MEN1 3604/4885KMT2A 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.