SCHEMBL457459

SCHEMBL457459

Cc1[c]c([N+](=O)[O-])c(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.42
ALDH1A1 P00352 9/20 0.42
TDP1 Q9NUW8 5/20 0.42
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 5/20 0.38
RECQL P46063 1/20 0.38
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5478812 0.81 TSHR (0.45) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL7834701 0.74 ALDH1A1 (0.46) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL9528452 0.70 TSHR (0.47) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL455622 0.68 ALDH1A1 (0.48) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL1531250 0.67 ALDH1A1 (0.38) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL4427648 0.66 ALDH1A1 (0.71) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL2478327 0.65 TSHR (0.40) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL6973509 0.65
SCHEMBL261451 0.65 TDP1 (0.45) TSHRALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL9300062 0.65 TSHR (0.42) TSHRALDH1A1TDP1HSD17B10CYP3A4

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 TSHR 2629/4885ALDH1A1 482/4885TDP1 3473/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885ALDH1A1 482/4885TDP1 3473/4885

“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.