Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528874

SCHEMBL5528874

SCHEMBL5528874

O=[N+]([O-])c1ccc2c(c1)Cc1cc(I)ccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ TDP2 O95551 2/20 0.54
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ PGR P06401 2/20 0.49
▸ PTPRC P08575 1/20 0.46
▸ S100A4 P26447 1/20 0.46
▸ SNCA P37840 1/20 0.45
▸ PNMT P11086 4/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL987760 0.89 TLR9 (0.79) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL30049268 0.89 TLR9 (0.79) TLR9MEN1MAPTKMT2ALMNA
2-Nitrofluorene SCHEMBL644332 0.81 MAPT (0.68) TLR9MEN1MAPTKMT2ALMNA
2-Nitrofluorene SCHEMBL29450702 0.81 MAPT (0.68) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL8927848 0.79 TLR9 (0.66) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL18849687 0.79 TLR9 (0.66) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL572390 0.79 TLR9 (0.66) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL2374341 0.79 MAPT (1.00) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL5030144 0.79 TLR9 (0.66) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL481427 0.79 TDP2 (0.55) TLR9MEN1MAPTKMT2ALMNA

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
CN-116583121-A Perovskite solar cell and preparation method thereof 武汉万度光能研究院有限责任公司 2023-08-11 — — CN disclosed
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 — — CN disclosed
US-10365286-B2 Chromophoric structures for lanthanide chelates RADIOMETER TURKU OY (FI) 2019-07-30 — — US disclosed
CN-106232771-B The new chromophore architectures of lanthanide chelate 雷度米特图尔库公司 2019-04-30 — — CN disclosed
EP-3137573-B1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES FIELD OF THE INVENTION RADIOMETER TURKU OY (FI) 2018-08-01 — — EP disclosed
WO-2017076201-A1 HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 — — WO disclosed
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 — — US disclosed
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 — — US disclosed
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 — — US disclosed
EP-3137573-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES FIELD OF THE INVENTION DHR Finland Oy (FI) 2017-03-08 — — EP disclosed
US-7253287-B1 Reactive probes for two-photon fluorescent imaging and sensing RESEARCH FOUNDATION OF THE UNIVERSITY OF CENTRAL FLORIDA, INC. (US) 2007-08-07 — — US disclosed
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 — — US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 — — EP disclosed
EP-1309563-B1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-05-11 — — EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 — — WO disclosed
EP-1309563-A1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES Agouron Pharmaceuticals, Inc. (US) 2003-05-14 — — EP disclosed
US-6462060-B2 MEDIATING TYROSINE KINASE SIGNAL TRANSDUCTION; TREATING TUMOR GROWTH, CELL PROLIFERATION, OR ANGIOGENESIS AGOURON PHARMACEUTICALS, INC. 2002-10-08 — — US disclosed
US-20020049238-A1 Heterocyclic-hydroxyimino-fluorene nuclei compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CHONG WESLEY KWON MUNG (US) 2002-04-25 — — US disclosed
WO-2002016326-A1 HETEROCYCLIC-HYDROXYIMINO-FLUORENES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-28 — — WO disclosed
EP-0652214-A1 N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-05-10 — — 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 (2 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-20020049238-A1 Heterocyclic-hydroxyimino-fluorene nuclei compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CHUK, BRAF, UACA TLR9 2581/4885MEN1 2733/4885MAPT 1789/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 TLR9 4819/4885MEN1 665/4885MAPT 4/4885

“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.