SCHEMBL455595

SCHEMBL455595

Brc1ccccc1-c1c[c]c(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PBRM1 Q86U86 1/20 0.31
IDO1 P14902 1/20 0.31
LMNA P02545 1/20 0.31
GCGR P47871 2/20 0.31
MAPK14 Q16539 2/20 0.31

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
SCHEMBL15063782 0.80
SCHEMBL15064041 0.80 ALDH1A1 (0.52) MAPK1ALDH1A1RAB9ANPC1TP53
SCHEMBL15063783 0.77 MAPK1 (0.48) MAPK1ALDH1A1RAB9ANPC1TP53
SCHEMBL457235 0.77 MAPK1 (0.48) MAPK1ALDH1A1RAB9ANPC1TP53
SCHEMBL15063990 0.77 ALDH1A1 (0.48) MAPK1ALDH1A1RAB9ANPC1TP53
SCHEMBL455130 0.77 CYP2A6 (0.48) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL456068 0.77 PTPRC (0.41) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL15063728 0.77 CA12 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL12489603 0.73 ALDH1A1 (0.83) MAPK1ALDH1A1RAB9ANPC1TP53
SCHEMBL457351 0.73 AR (0.44) MAPK1ALDH1A1TSHR

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 MAPK1 3269/4885ALDH1A1 482/4885RAB9A 3808/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MAPK1 3269/4885ALDH1A1 482/4885RAB9A 3808/4885

“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.