SCHEMBL12480946

SCHEMBL12480946

CCc1cc(C)cc(CC)c1-c1c(OCc2ccccc2)c(COCOC)nn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.34
CYP1A2 P05177 3/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 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
SCHEMBL12482169 0.93 PKM (0.39) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL15341140 0.90 TSHR (0.42) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL15333651 0.89 PKM (0.39) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL12481840 0.87 PKM (0.39) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL12481888 0.86 PKM (0.39) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL15344244 0.85
SCHEMBL12481977 0.84 ATP4A (0.39) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL12482158 0.83 PKM (0.40) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL12481871 0.83 PKM (0.41) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL12481967 0.82 PKM (0.41) PKMSMN1; SMN2TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029295-B2 Pyridazinone compound and herbicide and noxious arthropod controlling agent comprising it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-12 US disclosed
EP-2658845-B1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL CO (JP) 2015-02-25 EP disclosed
EP-2658845-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT Sumitomo Chemical Company Limited (JP) 2013-11-06 EP disclosed
US-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY,LIMITED (JP) 2013-10-24 US disclosed
WO-2012091156-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 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 (1 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-20130281299-A1 PYRIDAZINONE COMPOUND AND HERBICIDE AND NOXIOUS ARTHROPOD CONTROLLING AGENT COMPRISING IT ACHE, CBR3, DDT PKM 311/4885SMN1; SMN2 2614/4885TSHR 1981/4885

“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.