SCHEMBL1060706

SCHEMBL1060706

COc1ccc(C)cc1NS(=O)(=O)c1cc(CN2CC3CC2CN3)c2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GHSR Q92847 7/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL1064111 1.00 HTR6 (0.40) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064112 1.00 HTR6 (0.40) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064983 0.86 HTR6 (0.55) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1063412 0.86 HTR6 (0.55) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1063728 0.86 HTR6 (0.55) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064015 0.86 KMT2A (0.41) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064019 0.86 KMT2A (0.41) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1064017 0.86 KMT2A (0.41) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1060619 0.82 HTR6 (0.44) HTR6KMT2ATHRBTP53ALDH1A1
SCHEMBL1062570 0.81 GHSR (0.47) GHSR

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 3 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

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 3728/4885THRB 1033/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A HTR6 1/4885KMT2A 3354/4885THRB 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.