SCHEMBL457915

SCHEMBL457915

Cc1[c]cc(-c2ccccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.37
ACHE P22303 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL456835 0.80 PTPRC (0.43) PTPRCPTPN1TNKSTNKS2NPC1
SCHEMBL15063933 0.80 CA12 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1ACHE
SCHEMBL15063610 0.77
SCHEMBL456068 0.77 PTPRC (0.41) PTPRCPTPN1TNKSTNKS2NPC1
SCHEMBL28018336 0.77 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1NFKB1KMT2A
SCHEMBL455564 0.77 PTPRC (0.41) PTPRCPTPN1TNKSTNKS2L3MBTL1
SCHEMBL15063889 0.77 PTPRC (0.41) PTPRCPTPN1TNKSTNKS2NPC1
SCHEMBL458016 0.77 CYP2A6 (0.48) TNKS2NPC1RAB9ANFKB1NFKB2
SCHEMBL15063990 0.77 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1NPSR1MEN1
SCHEMBL452832 0.77 HSD11B1 (0.45) ALDH1A1BACE1TRPA1

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 10 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
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US 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 (3 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 PTPRC 2586/4885PTPN1 3065/4885TNKS 1003/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR PTPRC 2119/4885PTPN1 483/4885TNKS 2305/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 PTPRC 2586/4885PTPN1 3065/4885TNKS 1003/4885

“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.