Sugi Predict

Sugi Predict / Compounds / SCHEMBL4572402

SCHEMBL4572402

SCHEMBL4572402

O=C1C2CCC1c1c2cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ GPR35 Q9HC97 2/20 0.40
▸ S100A4 P26447 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 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
SCHEMBL9272017 0.82 TDP1 (0.40) TDP1GPR35S100A4MAPTKMT2A
SCHEMBL12446428 0.80 GPR35 (0.44) TDP1GPR35S100A4MAPTKMT2A
SCHEMBL4572413 0.80 GPR35 (0.41) TDP1GPR35S100A4MAPTKMT2A
SCHEMBL6979277 0.78 GPR35 (0.40) TDP1GPR35S100A4MAPTKMT2A
SCHEMBL4572414 0.78 GPR35 (0.40) TDP1GPR35MAPTKMT2AALDH1A1
SCHEMBL4572403 0.78 GPR35 (0.40) TDP1GPR35MAPTKMT2ARECQL
SCHEMBL6982116 0.78 TDP1 (0.40) TDP1GPR35MAPTKMT2ACHRNB2
SCHEMBL9269601 0.76 TDP1 (0.38) TDP1GPR35MAPTKMT2AALDH1A1
SCHEMBL14977883 0.76 TDP1 (0.38) TDP1GPR35MAPTKMT2AALDH1A1
SCHEMBL12677202 0.76 GPR35 (0.38) TDP1GPR35MAPTKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11647749-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2023-05-16 — — US disclosed
US-11647749-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2023-05-16 — — US disclosed
US-20200163337-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2020-05-28 — — US disclosed
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA CROP PROTECTION, LLC (US) 2018-01-18 — — US disclosed
US-9796646-B2 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2017-10-24 — — US disclosed
US-20170202220-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2017-07-20 — — US disclosed
US-20170202220-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2017-07-20 — — US disclosed
US-9642365-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2017-05-09 — — US disclosed
US-9642365-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2017-05-09 — — US disclosed
US-20160192655-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2016-07-07 — — US disclosed
EP-2193715-A1 Fungicidal Compositions Sygenta Participations AG. (CH) 2010-06-09 — — EP disclosed
EP-2193714-A1 Fungicidal Compositions Sygenta Participations AG. (CH) 2010-06-09 — — EP disclosed
US-7732469-B2 for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi SYNGENTA CROP PROTECTION, INC. (US) 2010-06-08 — — US disclosed
US-7732469-B2 for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi SYNGENTA CROP PROTECTION, INC. (US) 2010-06-08 — — US disclosed
WO-2010049228-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-06 — — WO disclosed
EP-2181981-A1 Process for the preparation of benzonorbornenes Syngeta Participations AG (CH) 2010-05-05 — — EP disclosed
WO-2008131901-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 — — WO disclosed
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-09-18 — — US disclosed
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-09-18 — — US disclosed
WO-2007048556-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-03 — — 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 (6 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-11647749-B2 Fungicidal compositions BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885S100A4 4794/4885
US-20160192655-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885S100A4 4794/4885
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 TDP1 3639/4885GPR35 3512/4885S100A4 420/4885
US-20170202220-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885S100A4 4794/4885
US-20200163337-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885S100A4 4794/4885
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides CBR3, CBR1, CYP8B1 TDP1 3870/4885GPR35 3375/4885S100A4 3828/4885

“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.