SCHEMBL456731

SCHEMBL456731

CCc1[c]cc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TRPV3 Q8NET8 8/20 0.37
KIF11 P52732 3/20 0.37
TLR8 Q9NR97 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL15064217 0.80 ALDH1A1 (0.37) KDM1AMAOBHEXAHEXBTLR8
SCHEMBL455489 0.80 NPC1 (0.45) ALOX5APFEN1IDO1TDO2
SCHEMBL456889 0.80 KDM1A (0.42) KDM1AMAOBALOX5APFEN1IDO1
SCHEMBL458540 0.79 CYP11B1 (0.37)
SCHEMBL15063724 0.76 KIF11 (0.44) MAOBHEXAHEXBCTSSCTSK
SCHEMBL456853 0.74 HEXA (0.38) MAOBHEXAHEXBCTSSCTSK
SCHEMBL2056329 0.73 RAB9A (0.56) KDM1AMAOBKIF11LTA4H
SCHEMBL2578700 0.71 NR1H2 (0.33) KDM1AIDO1HEXAHEXBKIF11
SCHEMBL455369 0.71 KIF11 (0.42) MAOBHEXAHEXBKIF11
SCHEMBL8239616 0.70 KIF11 (0.51) KDM1AMAOBALOX5APFEN1CTSS

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 KDM1A 1889/4885MAOB 172/4885ALOX5AP 1265/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KDM1A 1889/4885MAOB 172/4885ALOX5AP 1265/4885

“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.