SCHEMBL5585300

SCHEMBL5585300

Cc1cc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR2 P34972 7/20 0.45
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE6D O43924 1/20 0.40
PDE5A O76074 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40

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
SCHEMBL5584520 0.91 CNR2 (0.41) MAPTMEN1KMT2ACNR2POLB
SCHEMBL1925414 0.91 MEN1 (0.47) MAPTMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL5584326 0.90 TP53 (0.43) MAPTMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL5584116 0.89 TP53 (0.41) MAPTMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL5584905 0.86 KMT2A (0.50) MAPTMEN1KMT2ACNR2LMNA
SCHEMBL5584145 0.86 KMT2A (0.43) MAPTMEN1KMT2ACNR2LMNA
SCHEMBL27643371 0.86 MEN1 (0.42) MAPTMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL1926896 0.85 PDE4A (0.46) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5584513 0.83 CNR2 (0.53) MAPTMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL5584550 0.83 MEN1 (0.41) MAPTMEN1KMT2ASMN1; SMN2CNR2

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 MAPT 2720/4885MEN1 4001/4885KMT2A 2387/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 MAPT 4306/4885MEN1 4656/4885KMT2A 3413/4885

“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.