SCHEMBL3055517

SCHEMBL3055517

Cc1cc(S(=O)(=O)Nc2cccc3ccn(CCC(=O)NCCC4CCN(c5ccncc5)CC4)c23)c(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 13/20 0.39
▸ CHRM1 P11229 2/20 0.34
▸ F10 P00742 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3056437 0.93 BDKRB1 (0.40) BDKRB1CHRM1F10MEN1KMT2A
SCHEMBL3055485 0.86 BDKRB1 (0.38) BDKRB1F10MEN1KMT2A
SCHEMBL3059843 0.86 BDKRB1 (0.39) BDKRB1F10MEN1KMT2A
SCHEMBL3065820 0.80 BDKRB1 (0.39) BDKRB1F10MEN1KMT2A
SCHEMBL4714168 0.78 BDKRB1 (0.48) BDKRB1F10MEN1KMT2A
SCHEMBL4711955 0.78 BDKRB1 (0.49) BDKRB1CHRM1F10
SCHEMBL3053503 0.78 DRD2 (0.38) BDKRB1F10
SCHEMBL3053031 0.77 HSD17B1 (0.45) MEN1KMT2A
SCHEMBL3061724 0.76 CACNA2D1 (0.39) BDKRB1F10
SCHEMBL13139531 0.75 HSD17B1 (0.43) MEN1KMT2A

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 1/4885CHRM1 93/4885F10 184/4885

“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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