SCHEMBL1063597

SCHEMBL1063597

O=S(=O)(Nc1cc(N2CCCCC2)c2occc2c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
PKM P14618 2/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
KMO O15229 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Hydrochloric Acid SCHEMBL1059318 0.98 MAPT (0.52) MAPTPKMMCOLN3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL1064784 0.89 KMT2A (0.58) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL1059552 0.89 LMNA (0.53) MAPTPKMMCOLN3L3MBTL1MEN1
SCHEMBL1062855 0.87 LMNA (0.51) PKMMCOLN3L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1061451 0.82 ALDH1A1 (0.55) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL1065546 0.82 ALDH1A1 (0.54) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL3620585 0.79 HTR6 (0.49) MAPTPOLB
SCHEMBL3622742 0.79 HTR6 (0.59) PKMMEN1KMT2AALDH1A1KDM4E
SCHEMBL3619305 0.78 HTR6 (0.53) KMT2ATP53
SCHEMBL3618637 0.78 HTR6 (0.53) MAPTSMN1; SMN2

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 MAPT 1414/4885PKM 771/4885MCOLN3 1140/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A MAPT 2205/4885PKM 868/4885MCOLN3 1047/4885

“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.