SCHEMBL4398253

SCHEMBL4398253

CC(C)(C)OC(=O)Nc1ccc(I)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
HDAC1 Q13547 1/20 0.44
NAMPT P43490 2/20 0.42
GRIN2B Q13224 1/20 0.42
BCL2 P10415 1/20 0.41
ATR Q13535 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
DEGS1 O15121 1/20 0.38
PTK2 Q05397 1/20 0.38
CYP17A1 P05093 1/20 0.38
F13A1 P00488 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
SCHEMBL30231113 1.00 GSK3B (0.44) GSK3BDYRK1AHDAC1NAMPTGRIN2B
SCHEMBL851343 0.83 DEGS1 (0.56) GSK3BDYRK1ANAMPTGRIN2BDEGS1
SCHEMBL1126145 0.83 RAB9A (0.62) GSK3BDYRK1AMAPTRAB9A
SCHEMBL6609814 0.83 NAMPT (0.52) GSK3BDYRK1AHDAC1NAMPTBCL2
SCHEMBL28707113 0.82 GABRG2 (0.37) GSK3BDYRK1AHDAC1NAMPTGRIN2B
SCHEMBL2307440 0.81 GSK3B (0.44) GSK3BDYRK1AHDAC1NAMPTGRIN2B
SCHEMBL283737 0.81 RAB9A (0.51) BCL2MAPTRAB9A
SCHEMBL56219 0.81 PTGS1 (0.50) GSK3BDYRK1AHDAC1NAMPTGRIN2B
SCHEMBL12461458 0.81 GSK3B (0.44) GSK3BDYRK1AHDAC1NAMPTGRIN2B
SCHEMBL29372377 0.81 RAB9A (0.51) BCL2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340547-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2025-11-06 US disclosed
US-12195454-B2 Compounds for imaging tau proteins that accumulate in the brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2025-01-14 US disclosed
US-20240083893-A1 COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2024-03-14 US disclosed
WO-2023217018-A1 EZH2 INHIBITOR AND USE THEREOF IN MEDICINE 贝达药业股份有限公司 2023-11-16 WO disclosed
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2023-06-06 US disclosed
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2023-06-06 US disclosed
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2023-06-06 US disclosed
US-20220056020-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2022-02-24 US disclosed
WO-2006032509-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060063812-A1 Indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 US disclosed
CN-1740169-A Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC (US) 2006-03-01 CN disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 CN disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 CN disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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 (8 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-20240083893-A1 COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN MAPT, FABP7, HTT GSK3B 229/4885DYRK1A 250/4885HDAC1 1277/4885
US-12195454-B2 Compounds for imaging tau proteins that accumulate in the brain MAPT, FABP7, HTT GSK3B 229/4885DYRK1A 250/4885HDAC1 1277/4885
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain MAPT, FABP7, HTT GSK3B 280/4885DYRK1A 300/4885HDAC1 1175/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 GSK3B 1079/4885DYRK1A 4456/4885HDAC1 696/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 GSK3B 1079/4885DYRK1A 4456/4885HDAC1 696/4885
US-20220056020-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN BRAIN MAPT, FABP7, HTT GSK3B 263/4885DYRK1A 265/4885HDAC1 1221/4885
US-20250340547-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN MAPT, FABP7, HTT GSK3B 309/4885DYRK1A 307/4885HDAC1 1735/4885
US-20060063812-A1 Indole derivatives IDO1, IDO2, TPH1 GSK3B 154/4885DYRK1A 655/4885HDAC1 885/4885

“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.