SCHEMBL457430

SCHEMBL457430

CCc1[c]cc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
KDM1A O60341 1/20 0.41
KIF11 P52732 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
PGR P06401 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NOTUM Q6P988 2/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
S1PR5 Q9H228 1/20 0.37
BACE1 P56817 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37
IDO1 P14902 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
SCHEMBL456969 0.88 MAOB (0.47) MAOBKDM1AKIF11CTSSCTSK
SCHEMBL15063724 0.82 KIF11 (0.44) MAOBKIF11CTSSCTSK
SCHEMBL15063952 0.80 TAAR1 (0.46) PGR
SCHEMBL455854 0.80 MAOB (0.45) MAOBKDM1AKIF11ALDH1A1GAA
SCHEMBL6988230 0.79 KDM1A (0.50) MAOBKDM1AKIF11CTSSPGR
SCHEMBL456996 0.78 CTSS (0.44) CTSSCTSKSLC13A5
SCHEMBL15064191 0.78 BCL2 (0.49) CTSSCTSKNOTUMBACE1IDO1
SCHEMBL458004 0.78 PGR (0.47) MAOBKDM1AKIF11CTSSPGR
SCHEMBL15064091 0.78 HEXA (0.38) CTSSCTSKALDH1A1PGRNOTUM
SCHEMBL15063897 0.76 TAAR1 (0.46) MAOBPGR

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 9 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
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MAOB 172/4885KDM1A 1889/4885KIF11 2572/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MAOB 172/4885KDM1A 1889/4885KIF11 2572/4885

“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.