SCHEMBL3061729

SCHEMBL3061729

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCN(C5CCN(C)CC5)CC4)c23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 13/20 0.51
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3056130 0.97 BDKRB1 (0.51) BDKRB1ALDH1A1KMT2ATSHRMAPK1
SCHEMBL3051543 0.90 BDKRB1 (0.52) BDKRB1KMT2AMEN1
SCHEMBL3055551 0.84 BDKRB1 (0.41) BDKRB1L3MBTL1
SCHEMBL3043132 0.83 METAP2 (0.37) BDKRB1ALDH1A1MAPK1HSD17B10
SCHEMBL3060341 0.83 BDKRB1 (0.53) BDKRB1
SCHEMBL3052564 0.81 OPRD1 (0.38) BDKRB1HSD17B10L3MBTL1
SCHEMBL3065418 0.81 GAA (0.40) ALDH1A1KMT2ATSHRHSD17B10MEN1
SCHEMBL13139533 0.81 GAA (0.40) ALDH1A1KMT2ATSHRHSD17B10MEN1
SCHEMBL3046916 0.81 BDKRB1 (0.39) BDKRB1MAPK1HSD17B10L3MBTL1
SCHEMBL3056953 0.80 HSD11B1 (0.36) BDKRB1ALDH1A1MAPK1HSD17B10

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 claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
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

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 BDKRB1 1/4885ALDH1A1 1551/4885KMT2A 2512/4885

“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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