SCHEMBL5584782

SCHEMBL5584782

Cc1cc(-c2cc(COS(C)(=O)=O)c(=O)n(CCc3ccccc3Cl)n2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.36
BRD4 O60885 2/20 0.34
SDHB P21912 1/20 0.34
PTGS2 P35354 1/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SRC P12931 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PHGDH O43175 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
SCHEMBL5584440 0.95 MEN1 (0.36) MEN1KMT2AMAPTBRD4SDHB
SCHEMBL5584852 0.92 MEN1 (0.39) MEN1KMT2AMAPTBRD4SDHB
SCHEMBL28755574 0.89 MEN1 (0.34) MEN1KMT2ABRD4SDHBPTGS2
SCHEMBL5584875 0.89 KMT2A (0.39) MEN1KMT2AMAPTBRD4TP53
SCHEMBL5584914 0.88 TP53 (0.37) MEN1KMT2AMAPTPTGS2TP53
SCHEMBL5584290 0.86 KMT2A (0.46) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL1925569 0.85 MEN1 (0.45) MEN1KMT2AMAPT
SCHEMBL5584378 0.85 MAPT (0.41) MEN1KMT2AMAPTBRD4TP53
SCHEMBL5584593 0.85 PDE4A (0.37) MEN1KMT2AMAPTTP53TSHR
SCHEMBL5584809 0.84 PDE4A (0.37) MEN1KMT2AMAPTBRD4SDHB

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 MEN1 4001/4885KMT2A 2387/4885MAPT 2720/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 MEN1 4656/4885KMT2A 3413/4885MAPT 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.