SCHEMBL15063757

SCHEMBL15063757

Cc1[c]cc(C)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
GPR35 Q9HC97 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15063896 0.83 MAPT (0.43) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL1891926 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL9848798 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4GPR35TDP1
SCHEMBL20584089 0.80 CYP1A2 (0.47) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL28847435 0.80 TSHR (0.52) TSHRALDH1A1CYP3A4RECQLCYP1A2
SCHEMBL6152635 0.80 TSHR (0.43) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL6233733 0.77 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL21000996 0.76 TSHR (0.47) TSHRALDH1A1CYP3A4RECQLCYP1A2
SCHEMBL6239786 0.76 TSHR (0.46) TSHRALDH1A1CYP3A4GPR35TDP1
SCHEMBL13836301 0.76 TDP1 (0.46) TSHRALDH1A1CYP3A4RECQLHSD17B10

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 8 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
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN 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 482/4885CYP3A4 26/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885ALDH1A1 482/4885CYP3A4 26/4885

“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.