SCHEMBL497616

SCHEMBL497616

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL497600 0.86 CA12 (0.39) CA12CA2CA9ALDH1A1MAPK1
SCHEMBL497972 0.80 SLC6A2 (0.32) ALDH1A1TSHR
SCHEMBL332512 0.78 CA12 (0.36) CA12CA2CA9ALDH1A1HPGD
SCHEMBL497617 0.78 CA12 (0.36) CA12CA2CA9ALDH1A1HPGD
SCHEMBL9308507 0.78 CA12 (0.36) CA12CA2CA9ALDH1A1HPGD
SCHEMBL5204942 0.77 ALDH1A1 (0.36) CA12CA2CA9ALDH1A1HPGD
SCHEMBL2828870 0.76 CA12 (0.34) CA12CA2CA9ALDH1A1HPGD
SCHEMBL26583316 0.76 MEN1 (0.35) CA12CA2CA9ALDH1A1HPGD
SCHEMBL16941853 0.76 ALDH1A1 (0.39) CA12CA2CA9ALDH1A1HPGD
SCHEMBL16117656 0.76 ZDHHC20 (0.38) CA12CA2CA9ALDH1A1HPGD

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.