SCHEMBL1064849

SCHEMBL1064849

O=[N+]([O-])c1cc(NCCN2CCOCC2)c2occc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
POLB P06746 3/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.43
HPGD P15428 1/20 0.43
SMARCA2 P51531 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1061120 0.94 MAPT (0.62) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL1065543 0.91 MAPT (0.42) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL1063529 0.78 CYP1A2 (0.48) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL1064809 0.75 ALDH1A1 (0.47) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL26640646 0.74 MAPT (0.66) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL2307734 0.74 MAPT (0.66) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL15546620 0.74 PKM (0.66) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL1062515 0.74 HRH3 (0.43) MAPTPOLBPKMKMT2AMEN1
SCHEMBL1059641 0.73 ALDH1A1 (0.50) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2378489 0.73 PKM (0.66) MAPTPOLBPKMALDH1A1LMNA

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 MAPT 1414/4885POLB 3986/4885PKM 771/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A MAPT 2205/4885POLB 3025/4885PKM 868/4885

“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.