SCHEMBL3057223

SCHEMBL3057223

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC(Oc5ccncc5)CC4)c23)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 4/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2J2 P51589 2/20 0.35
▸ PKLR P30613 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ BDKRB1 P46663 6/20 0.35
▸ SCD O00767 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL3043136 0.94 OPRD1 (0.35) MAPTL3MBTL1CYP2C9PKLROPRD1
SCHEMBL3049768 0.84 CYP2D6 (0.45) CYP2C9
SCHEMBL3052067 0.82 TDP1 (0.51) CYP2C9KMT2A
SCHEMBL3056109 0.82 HIF1A (0.42) CYP2C9
SCHEMBL3063031 0.81 CYP3A4 (0.44) CYP2C9
SCHEMBL3060584 0.81 OPRD1 (0.33) L3MBTL1OPRD1OPRK1CXCR3KMT2A
SCHEMBL3046916 0.80 BDKRB1 (0.39) L3MBTL1OPRD1OPRK1BDKRB1CXCR3
SCHEMBL3050897 0.78 FAAH (0.35) KMT2A
SCHEMBL3051378 0.78 PLD1 (0.42) OPRD1OPRK1
SCHEMBL3056130 0.77 BDKRB1 (0.51) L3MBTL1BDKRB1KMT2A

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 8 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-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
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 MAPT 1511/4885L3MBTL1 1975/4885EPHX2 3193/4885

“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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