SCHEMBL1064017

SCHEMBL1064017

COc1ccc(C)cc1NS(=O)(=O)c1cc(CN2C[C@H](C)NC[C@H]2C)c2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTR6 P50406 1/20 0.41
GHSR Q92847 10/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL1064019 1.00 KMT2A (0.41) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1064015 1.00 KMT2A (0.41) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1060619 0.88 HTR6 (0.44) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1064833 0.87 HTR6 (0.43) KMT2AHTR6GHSRTHRBTP53
Hydrochloric Acid SCHEMBL1059423 0.86 HTR6 (0.42) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1062573 0.86 GHSR (0.47) GHSR
SCHEMBL1062570 0.86 GHSR (0.47) GHSR
SCHEMBL1064111 0.86 HTR6 (0.40) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1064112 0.86 HTR6 (0.40) KMT2AHTR6GHSRTHRBTP53
SCHEMBL1060706 0.86 HTR6 (0.40) KMT2AHTR6GHSRTHRBTP53

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 10 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

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 KMT2A 3728/4885HTR6 1/4885GHSR 386/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A KMT2A 3354/4885HTR6 1/4885GHSR 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.