SCHEMBL5584875

SCHEMBL5584875

Cc1cc(-c2cc(COS(C)(=O)=O)c(=O)n(CCCc3c(Cl)cccc3Cl)n2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
PKM P14618 1/20 0.33
PDE4B Q07343 2/20 0.33
BRD4 O60885 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.32
PHGDH O43175 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
SCHEMBL5584440 0.93 MEN1 (0.36) KMT2AMEN1MAPTTP53CYP3A4
SCHEMBL5584290 0.90 KMT2A (0.46) KMT2AMEN1MAPTTP53CYP3A4
SCHEMBL5584809 0.90 PDE4A (0.37) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5584782 0.89 MEN1 (0.37) KMT2AMEN1MAPTTP53CYP3A4
SCHEMBL5584593 0.89 PDE4A (0.37) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5584862 0.85 KMT2A (0.43) KMT2AMEN1MAPTTP53PKM
SCHEMBL5584852 0.85 MEN1 (0.39) KMT2AMEN1MAPTTP53CYP3A4
SCHEMBL5584914 0.85 TP53 (0.37) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5584550 0.82 MEN1 (0.41) KMT2AMEN1MAPTCYP2C9SMN1; SMN2
SCHEMBL1925569 0.82 MEN1 (0.45) KMT2AMEN1MAPTSMN1; SMN2PDE4B

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 4001/4885MAPT 2720/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KMT2A 3413/4885MEN1 4656/4885MAPT 4306/4885

“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.