SCHEMBL1064833

SCHEMBL1064833

COc1ccc(C)cc1NS(=O)(=O)c1cc(CN2CCNC(C)C2)c2occc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
KMT2A Q03164 2/20 0.42
GHSR Q92847 9/20 0.41
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MLNR O43193 2/20 0.39

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 SCHEMBL1059423 0.99 HTR6 (0.42) HTR6KMT2AGHSRTHRBTP53
SCHEMBL1062570 0.91 GHSR (0.47) GHSR
SCHEMBL1062573 0.91 GHSR (0.47) GHSR
SCHEMBL1062492 0.89 HTR6 (0.47) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064019 0.87 KMT2A (0.41) HTR6KMT2AGHSRTHRBTP53
SCHEMBL1064015 0.87 KMT2A (0.41) HTR6KMT2AGHSRTHRBTP53
SCHEMBL1064017 0.87 KMT2A (0.41) HTR6KMT2AGHSRTHRBTP53
SCHEMBL1063101 0.86 HTR6 (0.45) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1062412 0.86 HTR6 (0.44) HTR6KMT2ATP53ALDH1A1MLNR
SCHEMBL1064030 0.85 HTR6 (0.58) HTR6KMT2ATHRBTP53ALDH1A1

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 12 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
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 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 HTR6 1/4885KMT2A 3728/4885GHSR 386/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A HTR6 1/4885KMT2A 3354/4885GHSR 731/4885

“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.