SCHEMBL3052405

SCHEMBL3052405

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)c23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ ITGB3 P05106 11/20 0.43
▸ ITGA2B P08514 11/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GFER P55789 1/20 0.37

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
SCHEMBL3049768 0.93 CYP2D6 (0.45) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL3056109 0.89 HIF1A (0.42) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL3063031 0.86 CYP3A4 (0.44) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL3042694 0.85 CYP2D6 (0.45) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL3059843 0.82 BDKRB1 (0.39) GFER
SCHEMBL3052564 0.82 OPRD1 (0.38) TDP1
SCHEMBL3043136 0.82 OPRD1 (0.35) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL2876086 0.81 CYP2D6 (0.44) CYP2D6CYP2C9TSHRCYP3A4HIF1A
SCHEMBL3056130 0.79 BDKRB1 (0.51) CYP2D6TSHRALDH1A1MAPK1
SCHEMBL3061729 0.79 BDKRB1 (0.51) TSHRALDH1A1MAPK1

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 2 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

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 CYP2D6 585/4885CYP2C9 499/4885TSHR 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.

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