Sugi Predict

Sugi Predict / Compounds / SCHEMBL4572403

SCHEMBL4572403

SCHEMBL4572403

O=[N+]([O-])c1cccc2c1C1CCC2C1=C(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.40
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ NR4A1 P22736 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL14977883 0.89 TDP1 (0.38) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL9269601 0.89 TDP1 (0.38) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL12446428 0.87 GPR35 (0.44) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL4572413 0.87 GPR35 (0.41) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL4572414 0.85 GPR35 (0.40) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL6982116 0.85 TDP1 (0.40) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL6979277 0.85 GPR35 (0.40) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL12677202 0.83 GPR35 (0.38) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL4572411 0.82 TDP1 (0.37) GPR35CHRNB2CHRNA4TDP1NR4A1
SCHEMBL4572402 0.78 TDP1 (0.41) GPR35CHRNB2CHRNA4TDP1NR4A1

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 70 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-9878970-B1 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2018-01-30 — — 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-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 (5 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 GPR35 3687/4885CHRNB2 4734/4885CHRNA4 4760/4885
US-20160192655-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB GPR35 3687/4885CHRNB2 4734/4885CHRNA4 4760/4885
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 GPR35 3512/4885CHRNB2 2828/4885CHRNA4 3519/4885
US-20170202220-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB GPR35 3687/4885CHRNB2 4734/4885CHRNA4 4760/4885
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides CBR3, CBR1, CYP8B1 GPR35 3375/4885CHRNB2 2589/4885CHRNA4 1056/4885

“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.