SCHEMBL498179

SCHEMBL498179

CCCC[CH]C(=O)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP8 P22894 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EP300 Q09472 1/20 0.33
CA2 P00918 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL497603 0.86 NPC1 (0.38) CA12CA1CA9LMNANPC1
SCHEMBL7773421 0.79 CNR1 (0.41) CA12CA1CA9LMNAF7
SCHEMBL497713 0.79 ALDH1A1 (0.44) LMNATSHRF7F3ALDH1A1
SCHEMBL7063175 0.77 EP300 (0.42) LMNATSHRF7F3MMP2
SCHEMBL8653374 0.77 EP300 (0.42) LMNATSHRF7F3MMP2
SCHEMBL5206225 0.76 CA12 (0.48) CA12CA1CA9TSHRALDH1A1
SCHEMBL498655 0.75 NPC1 (0.41) CA12CA1CA9LMNATSHR
SCHEMBL7780204 0.74 CNR1 (0.43) LMNAF7F3MMP2EP300
SCHEMBL7777849 0.74 CNR1 (0.43) LMNAF7F3MMP2EP300
SCHEMBL6043327 0.73 NPC1 (0.39) CA12CA1CA9LMNANPC1

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 6 patents. 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

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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT CA12 4603/4885CA1 2852/4885CA9 3447/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA12 4035/4885CA1 1836/4885CA9 2894/4885

“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.