SCHEMBL456969

SCHEMBL456969

CCCc1[c]cc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
KDM1A O60341 1/20 0.40
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
PGR P06401 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
KIFC1 Q9BW19 2/20 0.38
TLR8 Q9NR97 1/20 0.38
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ICMT O60725 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL457430 0.88 MAOB (0.46) MAOBCTSSCTSKKDM1AKIF11
SCHEMBL15063902 0.83 KIF11 (0.41) MAOBCTSSCTSKKIF11
SCHEMBL15063626 0.81 TAAR1 (0.44) PGRTLR8
SCHEMBL454502 0.81 CTSS (0.48) CTSSCTSKSLC13A5
SCHEMBL15063868 0.79 CTSS (0.40) CTSSCTSKPGRICMTL3MBTL1
SCHEMBL457077 0.78 METAP2 (0.31)
SCHEMBL456795 0.78 CTSS (0.41) MAOBCTSSCTSKALDH1A1GAA
SCHEMBL15063856 0.78 BCL2 (0.45) MAOBCTSSCTSKALDH1A1
SCHEMBL15063662 0.78 MAOB (0.44) MAOBCTSSCTSKPGR
SCHEMBL19567187 0.77 MAOB (0.69) MAOBCTSSCTSKKDM1AKIF11

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 172/4885CTSS 3888/4885CTSK 2764/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MAOB 172/4885CTSS 3888/4885CTSK 2764/4885

“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.