SCHEMBL1065688

SCHEMBL1065688

CC1(C)OB(c2cc([N+](=O)[O-])cc3ccoc23)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
CASP6 P55212 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL18530950 0.78 LPL (0.40) LPLLIPG
SCHEMBL16426143 0.78 LIPG (0.41) CA12CA1CA2CA9LPL
SCHEMBL24790377 0.78 LPL (0.34) LPLLIPG
SCHEMBL1982148 0.77 LPL (0.36) TSHRTDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16518364 0.77 LPL (0.33) LPLLIPG
SCHEMBL28792221 0.74 SNCA (0.36) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL1063743 0.74 ALDH1A1 (0.47) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL7249379 0.74 ALDH1A1 (0.43) TSHRTDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21439081 0.73 LIPG (0.33) LPLLIPG
SCHEMBL20906155 0.73 SLC22A12 (0.41) LPLLIPG

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 TSHR 510/4885TDP1 3600/4885ALDH1A1 545/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A TSHR 847/4885TDP1 2711/4885ALDH1A1 353/4885

“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.