SCHEMBL457453

SCHEMBL457453

CCc1ccc(-c2ccc(Cl)cc2)cc1[Mg]Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
AHR P35869 1/20 0.34
HTR2B P41595 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTR2C P28335 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP1 Q9C000 1/20 0.33
HSD17B1 P14061 2/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
KIF11 P52732 1/20 0.33
AOC3 Q16853 2/20 0.32
PGR P06401 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL449516 0.77 ALOX5 (0.39) ALOX5AHRCYP1A2TP53MAPT
SCHEMBL12603775 0.76 AHR (0.50) ALOX5AHRCYP1A2LMNAMAPK1
SCHEMBL12603786 0.74 ALOX5 (0.41) ALOX5AHRCYP1A2TP53MAPT
SCHEMBL559918 0.74 ALDH1A1 (0.41) ALOX5AHRHTR2BCYP1A2TP53
SCHEMBL3027303 0.73 ALOX5 (0.39) ALOX5AHRHTR2BCYP1A2TP53
SCHEMBL12603790 0.73 HTR2C (0.47) ALOX5AHRHTR2BCYP1A2HTR2C
SCHEMBL3027764 0.71 GABRA1 (0.45) ALOX5AHRHTR2BCYP1A2TP53
SCHEMBL560893 0.70 ALOX5 (0.41) ALOX5AHRHTR2BCYP1A2HTR2C
SCHEMBL27992346 0.70 ERN1 (0.39) ALOX5AHRHTR2BCYP1A2TP53
SCHEMBL24608999 0.70 AHR (0.42) ALOX5AHRCYP1A2LMNAKIF11

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 ALOX5 625/4885AHR 558/4885HTR2B 1119/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALOX5 625/4885AHR 558/4885HTR2B 1119/4885

“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.