SCHEMBL13139524

SCHEMBL13139524

COC(=O)CCn1ccc2ccc(NS(=O)(=O)c3c(C)cc(OC)cc3C)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MTNR1A P48039 5/20 0.44
▸ MTNR1B P49286 5/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 1/20 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
SCHEMBL3053633 0.92 KMO (0.46) HTR6ALDH1A1MTNR1AMTNR1BGAA
SCHEMBL3053112 0.86 ALDH1A1 (0.46) HTR6ALDH1A1MTNR1AMTNR1BGAA
SCHEMBL13139522 0.83 ALDH1A1 (0.42) HTR6ALDH1A1MTNR1AMTNR1BGAA
SCHEMBL3057526 0.82 ALDH1A1 (0.43) HTR6ALDH1A1MTNR1AMTNR1BGAA
SCHEMBL13139532 0.80 MEN1 (0.47) HTR6MAPTMEN1LMNAKMT2A
SCHEMBL13139533 0.79 GAA (0.40) ALDH1A1GAAMAPTMEN1LMNA
SCHEMBL3042694 0.78 CYP2D6 (0.45) TSHRSMN1; SMN2
SCHEMBL3056448 0.77 MTNR1A (0.41) HTR6ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL3062814 0.76 HTR6 (0.46) HTR6MTNR1AMTNR1B
SCHEMBL3063588 0.76 HTR6 (0.51) HTR6

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 4 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-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 103/4885ALDH1A1 1551/4885MTNR1A 25/4885

“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.

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