SCHEMBL458486

SCHEMBL458486

Cc1ccc(-c2c[c]c(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5584028 0.85 AHR (0.30)
SCHEMBL15063601 0.81 CYP1A2 (0.46) HPGDTDP1POLBNOTUMNPC1
SCHEMBL157670 0.80
SCHEMBL456616 0.78 AKR1C2 (0.40) HPGDHSD17B10ACHEALDH1A1L3MBTL1
SCHEMBL455467 0.77 TXN (0.36) HSD17B10POLBNPC1RAB9ASMN1; SMN2
SCHEMBL16320151 0.77
SCHEMBL15064183 0.77 MAPK1 (0.42) CYP2D6CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL15063567 0.77 ESR2 (0.47) TDP1ACHEKDM4EALDH1A1L3MBTL1
SCHEMBL513970 0.76 ACHE (0.40) HPGDCYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL15063844 0.73 ALDH1A1 (0.40) HPGDCYP2D6CYP2C9ALOX15CYP2C19

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 HPGD 201/4885CYP2D6 30/4885CYP2C9 190/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HPGD 201/4885CYP2D6 30/4885CYP2C9 190/4885

“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.