SCHEMBL5584459

SCHEMBL5584459

Cc1cc(-c2cc(C(=O)O)c(=O)n(Cc3c(Cl)cccc3Cl)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CNR2 P34972 7/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
PDE4B Q07343 1/20 0.45
RORC P51449 3/20 0.45
SLC22A12 Q96S37 2/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5584142 0.89 PDE4B (0.44) KMT2AMEN1CNR2MAPTTP53
SCHEMBL5584857 0.89 CNR2 (0.46) KMT2AMEN1CNR2MAPTTP53
SCHEMBL1925446 0.87 CNR2 (0.49) KMT2AMEN1CNR2MAPTPDE4B
SCHEMBL5584513 0.86 CNR2 (0.53) KMT2AMEN1CNR2MAPTTP53
SCHEMBL6490288 0.86 KMT2A (0.48) KMT2AMEN1CNR2MAPTTP53
SCHEMBL27643401 0.86 RORC (0.43) KMT2AMEN1CNR2MAPTTP53
SCHEMBL5584905 0.84 KMT2A (0.50) KMT2AMEN1CNR2MAPTTP53
SCHEMBL5584235 0.82 KMT2A (0.50) KMT2AMEN1CNR2MAPTTP53
SCHEMBL5584596 0.82 PDE4B (0.41) CNR2MAPTTP53PDE4B
SCHEMBL5584793 0.82 CNR2 (0.49) KMT2AMEN1CNR2

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-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 KMT2A 2387/4885MEN1 4001/4885CNR2 2914/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KMT2A 3413/4885MEN1 4656/4885CNR2 1362/4885

“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.