SCHEMBL498397

SCHEMBL498397

[CH2]C(=O)N(CCCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CA1 P00915 4/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL497807 0.86 CA12 (0.34) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL498398 0.84 EPHX2 (0.41) EPHX2CA1CA12CA9MMP1
SCHEMBL498289 0.83 CA1 (0.36) EPHX2CA1CA12CA9MMP1
SCHEMBL1758802 0.80 EPHX2 (0.45) EPHX2CA1CA12CA9MMP1
SCHEMBL5206150 0.79 EPHX2 (0.45) EPHX2CA1CA12CA9MMP1
SCHEMBL5300087 0.78 EPHX2 (0.41) EPHX2CA1CA12CA9MMP1
SCHEMBL31093174 0.78 EPHX2 (0.47) EPHX2CA1CA12CA9MMP1
SCHEMBL8147042 0.78 EPHX2 (0.41) EPHX2CA1CA12CA9MMP1
SCHEMBL12228040 0.78 EPHX2 (0.41) EPHX2CA1CA12CA9MMP1
SCHEMBL16297556 0.78 EPHX2 (0.47) EPHX2CA1TP53ALDH1A1CES2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
EP-1272475-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
CN-1158122-A Substituted triazolinones as plant protective agents BASF AG (DE) 1997-08-27 CN disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (4 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 EPHX2 672/4885CA1 1759/4885CA12 3363/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT EPHX2 3331/4885CA1 2852/4885CA12 4603/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 EPHX2 416/4885CA1 1714/4885CA12 3265/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI EPHX2 3893/4885CA1 1836/4885CA12 4035/4885

“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.