SCHEMBL457530

SCHEMBL457530

CCc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 4/20 0.32
NPBWR1 P48145 1/20 0.32
MAPT P10636 5/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALPG P10696 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 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
SCHEMBL9653209 0.86 ALOX5 (0.38) HTTPOLBNPBWR1MAPTALDH1A1
SCHEMBL6206141 0.81 ALDH1A1 (0.37) MAPTALDH1A1MAPK1CYP2C19
SCHEMBL9008022 0.81 CYP1A2 (0.30) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7314015 0.81 TSHR (0.49) ALDH1A1
SCHEMBL8507244 0.81 TSHR (0.30)
SCHEMBL11153835 0.81 MAPT (0.33) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL27398680 0.81 FAAH (0.38) POLBKMT2AMAPTLMNAALDH1A1
SCHEMBL591107 0.81 PYCR1 (0.35) POLBGAALMNAALDH1A1SMN1; SMN2
SCHEMBL10497050 0.80 KCNH2 (0.45) LMNAALDH1A1PTGS2
SCHEMBL3794045 0.80 KCNH2 (0.45) LMNAALDH1A1PTGS2

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 13 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
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
CN-1107835-A A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-09-06 CN disclosed
CN-1028990-C Process for preparing phenylacetamide derivatives for inhibiting human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-06-21 CN disclosed
CN-1058958-A HIV inhibiting phenylacetamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1992-02-26 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 KAT2B 2691/4885HTT 2016/4885POLB 1257/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KAT2B 2691/4885HTT 2016/4885POLB 1257/4885

“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.