Sugi Predict

Sugi Predict / Compounds / SCHEMBL451767

SCHEMBL451767

SCHEMBL451767

O=[N+]([O-])c1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 4/20 0.54
▸ CHRNA3 P32297 4/20 0.54
▸ TSHR P16473 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.45
▸ HIF1A Q16665 1/20 0.44
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NOS3 P29474 2/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL3128684 0.74 CHRNB4 (0.73) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL19207373 0.74 TSHR (0.56) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL19243529 0.74 TSHR (0.56) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL28092025 0.73 CHRNB4 (0.67) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL14411431 0.71 CHRNB4 (0.69) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL13116623 0.70 TSHR (0.47) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL22898429 0.70 TSHR (0.47) CHRNB4CHRNA3TSHRLMNAHSP90AA1
SCHEMBL29761230 0.70 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2062764 0.70 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5324102 0.69 CHRNB4 (0.52) CHRNB4CHRNA3TSHRLMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 — — WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 — — EP claimed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 — — WO disclosed
WO-2016123361-A1 LIGAND-ENABLED META-C-H ACTIVATION USING A TRANSIENT MEDIATOR THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-04 — — WO disclosed
CN-104151132-B The preparation method of amine 先正达参股股份有限公司 2016-07-06 — — CN disclosed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 — — EP disclosed
EP-2316809-B1 Process for the preparation of benzonorbornane derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 — — EP disclosed
US-8680337-B2 Process for the production of amides Sungenta Limited (GB) 2014-03-25 — — US disclosed
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2013-09-26 — — US disclosed
US-8436037-B2 Process for the production of amides SYNGENTA LIMITED (GB) 2013-05-07 — — US disclosed
EP-2316813-B1 Process for the preparation of amines SYNGENTA PARTICIPATIONS AG (CH) 2013-04-03 — — EP disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 — — US disclosed
EP-1963251-A2 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2008-09-03 — — EP disclosed
EP-1928838-A1 PROCESS FOR THE PRODUCTION OF AMIDES Syngeta Participations AG (CH) 2008-06-11 — — EP disclosed
WO-2008017443-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 — — WO disclosed
WO-2007124907-A2 HETEROCYCLYL-CARBOXYLIC ACID (BENZONORBORNENE-5-YL)AMIDE DERIVATIVES AS FUNGICIDES FOR AGROCHEMICAL USE SYNGENTA PARTICIPATIONS AG (CH) 2007-11-08 — — WO disclosed
WO-2007068417-A2 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-21 — — WO disclosed
WO-2007031323-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG. (CH) 2007-03-22 — — WO disclosed
EP-1556385-A1 HETEROCYCLOCARBOXAMIDE DERIVATIVES Syngenta Participations AG (CH) 2005-07-27 — — EP disclosed
WO-2004035589-A1 HETEROCYCLOCARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 — — 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 (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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 CHRNB4 4782/4885CHRNA3 3731/4885TSHR 2018/4885
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CHRNB4 2973/4885CHRNA3 2710/4885TSHR 92/4885

“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.