SCHEMBL17871003

SCHEMBL17871003

C#Cc1c(N)nsc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 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
SCHEMBL22082145 0.85
SCHEMBL20631094 0.79 ALDH1A1 (0.33)
SCHEMBL17870983 0.69 TDP1 (0.35) GPR35
SCHEMBL17871026 0.69 GPR35 (0.36) GPR35
SCHEMBL20907651 0.69 KDM4E (0.36) GPR35
SCHEMBL17885169 0.69 TDP1 (0.31)
SCHEMBL19682142 0.67
SCHEMBL2804281 0.63 TDP1 (0.41)
SCHEMBL7817846 0.61 ALDH1A1 (0.48)
SCHEMBL3869347 0.61 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842152-B2 Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-11-24 US disclosed
US-10842152-B2 Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-11-24 US disclosed
EP-3464296-B1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2020-10-14 EP disclosed
EP-3464296-B1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2020-10-14 EP disclosed
US-20200317690-A1 NOVEL ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-08 US disclosed
US-20200317690-A1 NOVEL ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-08 US disclosed
US-20200178532-A1 NOVEL ISOTHIAZOLO-BASED BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-11 US disclosed
US-20200178532-A1 NOVEL ISOTHIAZOLO-BASED BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-11 US disclosed
EP-3648606-A1 NOVEL SUBSTITUTED ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2020-05-13 EP disclosed
CN-111031799-A Substituted isothiazolopyridinones, method for the production thereof and use thereof as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2020-04-17 CN disclosed
WO-2017207395-A1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017207462-A1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017207395-A1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017207462-A1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
EP-3236752-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
EP-3236753-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2017-11-01 EP disclosed
CN-107249329-A Novel isothiazolamides, method for the production thereof and use thereof as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2017-10-13 CN disclosed
CN-107205394-A New isothiazole acid amides, its preparation method and its purposes as fungicide 拜耳作物科学股份公司 2017-09-26 CN disclosed
WO-2016102435-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed
WO-2016102420-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-30 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 (3 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-10842152-B2 Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators ING2, DDT, CBR3 GPR35 3384/4885
US-20200178532-A1 NOVEL ISOTHIAZOLO-BASED BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS ING2, DDT, CBR3 GPR35 3393/4885
US-20200317690-A1 NOVEL ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS ING2, DDT, IP6K1 GPR35 4085/4885

“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.