SCHEMBL276716

SCHEMBL276716

[O]c1cccc2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
KEAP1 Q14145 1/20 0.53
PDPK1 O15530 1/20 0.52
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
BACE1 P56817 1/20 0.44
BCHE P06276 4/20 0.43
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
PARP1 P09874 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL31492457 0.75 AHR (0.60) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3334473 0.73 AHR (0.58) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL20159135 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL445281 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL443938 0.71 AHR (1.00) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL398827 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL129649 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3876150 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL317549 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL446638 0.71 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
EP-1736465-A1 ANILINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2006-12-27 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
CN-1724520-A One class indenoindole ketone compounds, Preparation Method And The Use SHANGHAI INST PHARM INDUSTRY (CN) 2006-01-25 CN disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (4 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 AHR 235/4885KEAP1 2864/4885PDPK1 4524/4885
US-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN AHR 1430/4885KEAP1 270/4885PDPK1 3366/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AHR 250/4885KEAP1 2950/4885PDPK1 4529/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AHR 250/4885KEAP1 2950/4885PDPK1 4529/4885

“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.