SCHEMBL13139532

SCHEMBL13139532

COC(=O)CCn1ccc2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ HTR6 P50406 9/20 0.45
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL3047557 0.90 KMO (0.52) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3058830 0.84 HSD17B1 (0.50) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL13139523 0.84 MEN1 (0.46) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3061861 0.82 MEN1 (0.48) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL13139524 0.80 HTR6 (0.46) MEN1KMT2AHTR6LMNAMAPT
SCHEMBL27422020 0.80 MEN1 (0.57) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL13139531 0.80 HSD17B1 (0.43) MEN1KMT2AHSD17B1HSD17B2LMNA
SCHEMBL3063588 0.78 HTR6 (0.51) HTR6
SCHEMBL27421833 0.76 MEN1 (0.55) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3055485 0.75 BDKRB1 (0.38) MEN1KMT2AHTR6LMNAMAPT

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 MEN1 1256/4885KMT2A 2512/4885HSD17B1 2880/4885

“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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