SCHEMBL4048725

SCHEMBL4048725

O=[N+]([O-])c1ccc2c(I)nn(C3CCCCO3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
HPGD P15428 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
HSP90AA1 P07900 1/20 0.34
RIPK1 Q13546 1/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR2 P34972 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
BLM P54132 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
POLB P06746 3/20 0.34
ACHE P22303 1/20 0.33
APEX1 P27695 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL31475214 1.00 CYP1A2 (0.39) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL29643977 0.91 SIRT2 (0.40) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL28686145 0.91 SIRT2 (0.40) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL25917375 0.86 CYP1A2 (0.39) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL29183708 0.84 CYP1A2 (0.38) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL30804956 0.84 CYP1A2 (0.38) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL29183716 0.83 CYP1A2 (0.41) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL5210462 0.83 CYP1A2 (0.38) CYP1A2HPGDSIRT2ALDH1A1MAPT
SCHEMBL30804961 0.83 CYP1A2 (0.41) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL30387794 0.83 CYP4F2 (0.38) ALDH1A1DGAT2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942544-B Novel indazole derivative kinase inhibitor 中国科学院合肥物质科学研究院 2021-06-11 CN disclosed
US-9580406-B2 Processes for the preparation of axitinib SIGNA S.A. DE C.V. (MX) 2017-02-28 US disclosed
US-20160318898-A1 Processes for the Preparation of Axitinib SIGNA S.A. DE C.V. (MX) 2016-11-03 US disclosed
CN-102134234-B Indazole urea compound and preparation method and pharmaceutical application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-06-05 CN disclosed
CN-102134234-A Indazole urea compound and preparation method and pharmaceutical application thereof NANJING UNIVERSITY OF TECHNOLOGY 2011-07-27 CN disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
CN-101094836-A Methods of making indazole compounds AGOURON PHARMA (US) 2007-12-26 CN disclosed
CN-101044138-A Indazole compounds and their use as herbicides PFIZER (US) 2007-09-26 CN disclosed
EP-1814859-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-08-08 EP disclosed
EP-1809625-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2006048745-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 WO disclosed
WO-2006048761-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 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 (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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CYP1A2 4817/4885HPGD 2142/4885SIRT2 168/4885
US-20160318898-A1 Processes for the Preparation of Axitinib AURKA, AURKC, AURKB CYP1A2 1045/4885HPGD 3252/4885SIRT2 3810/4885

“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.