SCHEMBL1064809

SCHEMBL1064809

CN(C)CCNc1cc([N+](=O)[O-])cc2ccoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PABPC1 P11940 1/20 0.37
FTO Q9C0B1 1/20 0.37
KAT2B Q92831 1/20 0.36
SLC2A1 P11166 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NCF1 P14598 2/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL1065543 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2POLBHTTMEN1
SCHEMBL1064849 0.75 MAPT (0.53) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL1061120 0.74 MAPT (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1062357 0.72 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBHTTPABPC1
SCHEMBL1062515 0.72 HRH3 (0.43) POLBMEN1KMT2ASLC2A1MAPT
SCHEMBL26640796 0.70 MAPT (0.58) ALDH1A1NPSR1SMN1; SMN2POLBHTT
SCHEMBL1594797 0.70 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2BCHEACHE
SCHEMBL1063743 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ACHEPOLBHTT
SCHEMBL7448185 0.70 MEN1 (0.61) ALDH1A1NPSR1SMN1; SMN2POLBHTT
SCHEMBL3143350 0.69 POLB (0.61) ALDH1A1NPSR1SMN1; SMN2BCHEACHE

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-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (2 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A ALDH1A1 545/4885NPSR1 20/4885SMN1; SMN2 2289/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A ALDH1A1 353/4885NPSR1 24/4885SMN1; SMN2 2398/4885

“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.