Sugi Predict

Sugi Predict / Compounds / SCHEMBL1844973

SCHEMBL1844973

SCHEMBL1844973

COc1ccc(CNc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.66
▸ RAB9A P51151 5/20 0.66
▸ GAA P10253 4/20 0.66
▸ NPC1 O15118 3/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ ALDH1A1 P00352 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ FFAR1 O14842 1/20 0.56
▸ HIF1A Q16665 1/20 0.55
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54

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
SCHEMBL854818 0.88 L3MBTL1 (0.64) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL10055019 0.88 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL5669873 0.88 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL1844199 0.88 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL4180805 0.87 GAA (0.54) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL177809 0.83 MAPT (0.70) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL11935861 0.83 MAPT (0.70) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL10924995 0.83 RAB9A (0.70) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL4173329 0.83 MAPT (0.50) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL22783768 0.82 MAPT (0.74) MAPTRAB9AGAANPC1L3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138921-A1 GPER PROTEOLYTIC TARGETING CHIMERAS University Of Iowa Research Foundation (US) 2023-03-01 — — EP disclosed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 — — EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 — — US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 — — EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 — — US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 — — US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 — — US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 — — US disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 — — EP disclosed
EP-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 — — EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 — — EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 — — EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 — — WO disclosed
WO-2005121095-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2005-12-22 — — WO disclosed
US-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2005-12-15 — — US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 — — US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 — — EP 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 (5 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-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide C5AR2, C5AR1, C3AR1 MAPT 4731/4885RAB9A 2987/4885GAA 4630/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 728/4885RAB9A 1166/4885GAA 3289/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 MAPT 4620/4885RAB9A 2156/4885GAA 4669/4885
US-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 MAPT 4871/4885RAB9A 2366/4885GAA 4858/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885RAB9A 1330/4885GAA 1702/4885

“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.