SCHEMBL5688271

SCHEMBL5688271

CCc1c[c]ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
IDO1 P14902 2/20 0.32
POLQ O75417 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TRPA1 O75762 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5956014 0.84 AR (0.34) ARGABRA1GABRB2CACNA1CSCN5A
SCHEMBL5730284 0.82 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL5782008 0.80 KIF11 (0.33) IDO1
SCHEMBL27719883 0.80 IDO1 (0.36) IDO1MAOB
SCHEMBL3028540 0.80 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL455192 0.74
SCHEMBL58401 0.73 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL146460 0.73 AR (0.31) AR
SCHEMBL8138232 0.73 AR (0.36) AR
SCHEMBL17316445 0.73 L3MBTL1 (0.37) CACNA1CNPSR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
US-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
CN-1301305-A Serine protease variants with amino acid substitutions PROCTER & GAMBLE (US) 2001-06-27 CN 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 (4 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 AR 4520/4885IDO1 2680/4885POLQ 4276/4885
US-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 AR 4610/4885IDO1 2744/4885POLQ 3315/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 AR 1541/4885IDO1 327/4885POLQ 2100/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 AR 1541/4885IDO1 327/4885POLQ 2100/4885

“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.