SCHEMBL3047267

SCHEMBL3047267

O=C(O)Cn1ccc2cccc(NS(=O)(=O)c3cccc4ccccc34)c21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.51
SLC16A3 O15427 5/20 0.50
TSHR P16473 1/20 0.48
MCL1 Q07820 2/20 0.47
KCNA5 P22460 1/20 0.47
NTSR1 P30989 1/20 0.47
HCRTR1 O43613 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PFKFB3 Q16875 1/20 0.44
ACLY P53396 1/20 0.44
KMT2A Q03164 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
SCHEMBL13139527 0.85 HTR6 (0.48) HTR6SLC16A3TSHRMCL1KCNA5
SCHEMBL3055522 0.84 KMT2A (0.55) MCL1ALDH1A1ACLYKMT2A
SCHEMBL3143661 0.80 HTR6 (0.75) HTR6HCRTR1
SCHEMBL3147198 0.79 HTR6 (0.67) HTR6SLC16A3ALDH1A1HTTKMT2A
SCHEMBL3059970 0.79 HTR6 (0.68) HTR6TSHRMCL1NTSR1ALDH1A1
SCHEMBL3056165 0.78 HSD17B1 (0.47) MCL1ALDH1A1KMT2A
SCHEMBL2693255 0.75 SLC16A3 (0.65) SLC16A3TSHRMCL1KCNA5HCRTR1
SCHEMBL3057088 0.74 MEN1 (0.53) MCL1ALDH1A1ACLYKMT2A
SCHEMBL13139542 0.73 MEN1 (0.44) HTR6MCL1KCNA5ALDH1A1ACLY
SCHEMBL6181264 0.73 ALDH1A1 (0.62) SLC16A3TSHRMCL1KCNA5HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (1 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR6 103/4885SLC16A3 4692/4885TSHR 218/4885

“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.