SCHEMBL456889

SCHEMBL456889

Cc1[c]cc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KIF11 P52732 6/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TOP1 P11387 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAD51 Q06609 1/20 0.36
SCN2A Q99250 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL456731 0.80 KDM1A (0.40) KDM1AMAOBKIF11IDO1TDO2
SCHEMBL459113 0.77 KDM4E (0.40) KDM1AMAOBKDM4EALDH1A1LMNA
SCHEMBL456831 0.77 NPC1 (0.41) IDO1TDO2KDM4EALDH1A1NFKB1
SCHEMBL457332 0.75 KIF11 (0.41) MAOBKIF11KDM4EALDH1A1LMNA
SCHEMBL8192377 0.74 CCR1 (0.54) KDM1AMAOBKIF11IDO1TDO2
SCHEMBL22390554 0.74 KDM1A (0.49) KDM1AMAOBKIF11IDO1TDO2
SCHEMBL15063822 0.73 KIF11 (0.48) MAOBKIF11KDM4EALDH1A1LMNA
SCHEMBL29690424 0.72 KIF11 (0.61) KDM1AMAOBKIF11IDO1TDO2
SCHEMBL28530523 0.72 KIF11 (0.61) KDM1AMAOBKIF11IDO1TDO2
SCHEMBL459127 0.71 KIF11 (0.46) KIF11KDM4EALDH1A1LMNACYP1A2

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 172/4885KIF11 2572/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KDM1A 1889/4885MAOB 172/4885KIF11 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.