SCHEMBL5584596

SCHEMBL5584596

Cc1cc(-c2cc(C(=O)O)c(=O)n(CCCc3ccccc3Cl)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
CNR2 P34972 7/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
SRC P12931 1/20 0.39
USP2 O75604 1/20 0.38
P2RX7 Q99572 3/20 0.38
CTSS P25774 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37

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 0.91 PDE4B (0.44) PDE4BCNR2MAPTTP53SRC
SCHEMBL5584857 0.89 CNR2 (0.46) PDE4BCNR2MAPTTP53SRC
SCHEMBL5584807 0.87 MAPT (0.40) PDE4BCNR2MAPTTP53SRC
SCHEMBL5584394 0.87 CNR2 (0.43) PDE4BCNR2MAPTTP53PDE4A
SCHEMBL5584201 0.86 PDE4B (0.47) PDE4BTP53P2RX7PDE4APDE4C
SCHEMBL5584920 0.86 PDE4B (0.41) PDE4BCNR2MAPTTP53SRC
SCHEMBL5584493 0.84 MAPT (0.42) PDE4BCNR2MAPTTP53P2RX7
SCHEMBL5584459 0.82 KMT2A (0.49) PDE4BCNR2MAPTTP53
SCHEMBL5584166 0.82 CNR2 (0.45) PDE4BCNR2MAPTTP53PDE4D
SCHEMBL1925446 0.82 CNR2 (0.49) PDE4BCNR2MAPTSRCPDE4A

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 PDE4B 2058/4885CNR2 2914/4885MAPT 2720/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PDE4B 3545/4885CNR2 1362/4885MAPT 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.