SCHEMBL15064034

SCHEMBL15064034

Cc1c[c]c([N+](=O)[O-])c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
GPR35 Q9HC97 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACHE P22303 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
S1PR4 O95977 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL27913899 0.82 TSHR (0.38) TSHRALDH1A1CYP3A4TDP1CYP1A2
SCHEMBL6371744 0.74 HPRT1 (0.46) TSHRALDH1A1CYP3A4ACHEHSD17B10
SCHEMBL2490500 0.71 TDP1 (0.34) TSHRALDH1A1CYP3A4TDP1ACHE
SCHEMBL15063870 0.71 TSHR (0.50) TSHRALDH1A1CYP3A4TDP1GPR35
SCHEMBL5474301 0.69 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4TDP1ACHE
SCHEMBL2124826 0.69 MAPT (0.49) ALDH1A1CYP3A4KDM4EHSD17B10CYP1A2
SCHEMBL4125346 0.68 GPR35 (0.57) TSHRALDH1A1CYP3A4TDP1GPR35
SCHEMBL9653333 0.68 TSHR (0.33) TSHRALDH1A1TDP1HSD17B10CYP1A2
SCHEMBL455622 0.67 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL27967204 0.66 HTT (0.39) ALDH1A1CYP3A4TDP1KDM4EHSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936136-B Novel imidazopyrimidine compounds and uses thereof 儿童医学中心公司 2024-07-05 CN disclosed
CN-111936136-A Novel imidazopyrimidine compounds and uses thereof 儿童医学中心公司 2020-11-13 CN disclosed
CN-111587114-A Use of imidazopyrimidines for modulating the immune response in humans 儿童医学中心公司 2020-08-25 CN disclosed
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
CN-103467369-B The preparation method of nimodipine impurity I SHANDONG XINHUA PHARMACEUTICAL CO., LTD. (CN) 2015-11-04 CN 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-101823994-A Antihypertensive compound, synthesis method, application and medicament thereof UNIV XI AN JIAOTONG 2010-09-08 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.