SCHEMBL3050897

SCHEMBL3050897

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CC5CC4CN5Cc4ccncc4)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.35
▸ LTA4H P09960 4/20 0.33
▸ PTGER3 P43115 2/20 0.33
▸ KCNK3 O14649 1/20 0.31
▸ KCNK9 Q9NPC2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ ERBB4 Q15303 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA5 P08648 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3057223 0.78 MAPT (0.37) KMT2A
SCHEMBL3047576 0.76 KMT2A (0.41) PTGER3MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3049768 0.76 CYP2D6 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL3043136 0.75 OPRD1 (0.35) MEN1KMT2ATDP1ALDH1A1
SCHEMBL3056109 0.75 HIF1A (0.42) ALDH1A1
SCHEMBL3063031 0.74 CYP3A4 (0.44) ALDH1A1
SCHEMBL3052067 0.73 TDP1 (0.51) KMT2ATDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL13139521 0.72 ACLY (0.39) PTGER3MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3046916 0.71 BDKRB1 (0.39) HSD17B10
SCHEMBL13139533 0.71 GAA (0.40) PTGER3MEN1KMT2ATDP1SMN1; SMN2

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 FAAH 494/4885LTA4H 946/4885PTGER3 329/4885

“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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