SCHEMBL497807

SCHEMBL497807

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
CA1 P00915 2/20 0.33
NAMPT P43490 1/20 0.33
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
FDPS P14324 1/20 0.32
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL498397 0.86 EPHX2 (0.41) CA12CA9CA1EPHX2MAPK1
SCHEMBL497808 0.83 CA12 (0.36) CA12CA2CA9CA1NAMPT
SCHEMBL497598 0.82 CA12 (0.32) CA12CA2CA9TSHRMAPK1
SCHEMBL497964 0.80
SCHEMBL6207217 0.78 MEN1 (0.38) CA12CA2CA9CA1NAMPT
SCHEMBL6207215 0.78 CA12 (0.36) CA12CA2CA9CA1NAMPT
SCHEMBL5211260 0.77 EPHX2 (0.37) CA12CA2CA9CA1NAMPT
SCHEMBL24370670 0.76 MLYCD (0.36) CA12CA2CA9CA1NAMPT
SCHEMBL7254045 0.76 CA1 (0.36) CA12CA2CA9CA1NAMPT
SCHEMBL9009588 0.76 EPHX2 (0.39) CA12CA2CA9CA1NAMPT

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 7 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
CN-1250447-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AG (DE) 2000-04-12 CN 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 4603/4885CA2 2263/4885CA9 3447/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA12 4035/4885CA2 2256/4885CA9 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.