SCHEMBL458793

SCHEMBL458793

CCc1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 5/20 0.34
LMNA P02545 3/20 0.34
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HSD17B10 Q99714 1/20 0.31
FBP1 P09467 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL3794039 0.80 KCNH2 (0.40) ALDH1A1
SCHEMBL58486 0.79 TSHR (0.46) TDP1ALDH1A1TSHRLMNAACHE
SCHEMBL3861205 0.77 DRD2 (0.38) ALDH1A1TSHRLMNAMAPTHSD17B10
SCHEMBL261451 0.74 TDP1 (0.45) TDP1ALDH1A1TSHRLMNAACHE
SCHEMBL17311995 0.73 APP (0.42) ALDH1A1TSHRLMNAACHEMAPT
SCHEMBL15063599 0.72 POLB (0.35) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL28769904 0.72 ALDH1A1 (0.33) TDP1ALDH1A1TSHRLMNAACHE
SCHEMBL16281809 0.71 POLB (0.33) ACHEMAPTPOLBHTTHSD17B10
SCHEMBL6310965 0.69 TSHR (0.38) TDP1ALDH1A1TSHRLMNAACHE
SCHEMBL2350187 0.69 TSHR (0.38) TDP1ALDH1A1TSHRLMNAACHE

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
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
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 US disclosed
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 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 TDP1 3473/4885ALDH1A1 482/4885TSHR 2629/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TDP1 3473/4885ALDH1A1 482/4885TSHR 2629/4885

“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.