SCHEMBL296498

SCHEMBL296498

Cc1cc[n+]([O-])cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC8 Q9BY41 2/20 0.31

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
SCHEMBL20168189 0.83 TSHR (0.45) TSHRPTGDR2HDAC8
SCHEMBL12685941 0.77 HDAC8 (0.46) TSHRHDAC8
Iodide SCHEMBL12491791 0.75 HDAC8 (0.45) TSHRHDAC8
SCHEMBL28321047 0.75 TSHR (0.45) TSHRHDAC8
SCHEMBL28321107 0.75 TSHR (0.45) TSHRHDAC8
SCHEMBL20303428 0.71 TSHR (0.35) TSHR
SCHEMBL14339887 0.71 TSHR (0.31) TSHR
SCHEMBL6745557 0.71 TRPV4 (0.39)
SCHEMBL4890006 0.71 AR (0.40)
SCHEMBL8652227 0.69 VCAM1 (0.45)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8609150-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-17 US disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
EP-1223195-B1 Thermoplastic resin composition and shaped articles thereof JSR CORP (JP) 2012-03-14 EP disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP disclosed
US-6562908-B2 Blend of rubber reinforced thermoplastic resins, acrylic resins and thermoplastic norbornene resins; heat resistance, strength, processability, and laser marking properties JSR CORPORATION (JP) 2003-05-13 US disclosed
US-20020128392-A1 Thermoplastic resin composition and shaped articles thereof JSR CORPORATION (JP) 2002-09-12 US disclosed
EP-1223195-A2 Thermoplastic resin composition and shaped articles thereof JSR Corporation (JP) 2002-07-17 EP disclosed
EP-0708147-B1 Laser marking resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1998-08-05 EP disclosed
US-5760120-A MOLDING MATERIALS, IMPACT RESISTANCE, RUBBER REINFORCED RESIN, TITANIUM BLACK, BLACK IRON OXIDE, YELLOW IRON OXIDE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-02 US disclosed
EP-0708147-A1 Laser marking resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-04-24 EP disclosed
WO-1994012352-A1 POLYMER COMPOSITION COMPRISING A POLYMER AND AT LEAST ONE RADIATION-SENSITIVE COMPONENT DSM N.V. (NL) 1994-06-09 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 TSHR 650/4885PTGDR2 1703/4885HDAC8 3082/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH TSHR 1223/4885PTGDR2 2118/4885HDAC8 3300/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH TSHR 1223/4885PTGDR2 2118/4885HDAC8 3300/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH TSHR 1223/4885PTGDR2 2118/4885HDAC8 3300/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH TSHR 1223/4885PTGDR2 2118/4885HDAC8 3300/4885

“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.