SCHEMBL457933

SCHEMBL457933

Ic1[c]cc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.33
CYP1A2 P05177 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX12 P18054 1/20 0.33
NQO2 P16083 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HIF1A Q16665 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL6163163 0.74 CYP2A6 (0.37) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL68114 0.70 CYP2A6 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL456918 0.70 CYP2A6 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL456809 0.70 CYP2A6 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL457800 0.70 CYP2A6 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL408287 0.70 ALDH1A1 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL1639049 0.70 CYP1A2 (0.42) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL2257365 0.67 ALDH1A1 (0.35) CYP1A2ALDH1A1HSD17B10TP53HPGD
SCHEMBL14800228 0.66 CYP2A6 (0.47) CYP2A6CYP1A2CA1CA2ALOX12
SCHEMBL30548751 0.66 CYP2A6 (0.47) CYP2A6CYP1A2CA1CA2ALOX12

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 11 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
EP-0541670-A4 PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES 1993-06-16 EP disclosed
EP-0541670-A1 PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-05-19 EP 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 CYP2A6 47/4885CYP1A2 36/4885CA1 4674/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP2A6 47/4885CYP1A2 36/4885CA1 4674/4885

“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.