SCHEMBL1059641

SCHEMBL1059641

O=[N+]([O-])c1cc(N2CCOCC2)c2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 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
SCHEMBL1064192 0.89 GAA (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1059332 0.88 GAA (0.50) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3626555 0.86 SIRT6 (0.49) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL1064253 0.85 ADRB1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1066398 0.82 MAPT (0.44) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL5988931 0.81 GAA (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1064174 0.78 MAPT (0.60) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1059757 0.78 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL5992719 0.76 NPSR1 (0.38) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL1057581 0.76 GAA (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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 545/4885SMN1; SMN2 2289/4885LMNA 2464/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A ALDH1A1 353/4885SMN1; SMN2 2398/4885LMNA 1896/4885

“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.