SCHEMBL1059552

SCHEMBL1059552

O=S(=O)(Nc1cc(N2CCCCC2)c2occc2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR6 P50406 1/20 0.47
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EIF2AK2 P19525 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL1062855 0.99 LMNA (0.51) LMNATP53THRBL3MBTL1ALDH1A1
SCHEMBL3622742 0.90 HTR6 (0.59) LMNAALDH1A1MEN1KMT2AHTR6
SCHEMBL3622734 0.89 HTR6 (0.55) HTR6
SCHEMBL1063597 0.89 MAPT (0.55) LMNATP53L3MBTL1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL1377875 0.89 HTR6 (0.58) LMNAALDH1A1MEN1KMT2AHTR6
Hydrochloric Acid SCHEMBL1061484 0.89 MAPT (0.50) LMNATP53ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1377178 0.88 HTR6 (0.54) HTR6
Hydrochloric Acid SCHEMBL1059318 0.86 MAPT (0.52) LMNATP53L3MBTL1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL1061451 0.82 ALDH1A1 (0.55) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL1065546 0.81 ALDH1A1 (0.54) LMNATP53ALDH1A1MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739230-B2 2011-08-03 JP claimed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US claimed
JP-2007514745-A 2007-06-07 JP claimed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US claimed
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 claimed
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 claimed
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 LMNA 2464/4885TP53 4487/4885THRB 1033/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A LMNA 1896/4885TP53 4239/4885THRB 1924/4885

“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.