SCHEMBL5584793

SCHEMBL5584793

Cc1cc(-c2cc(C(=O)O)c(=O)n(Cc3ccc(F)c(F)c3)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.49
P2RY14 Q15391 1/20 0.43
CNR1 P21554 3/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
SRC P12931 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL5584513 0.91 CNR2 (0.53) CNR2CNR1MEN1POLBKMT2A
SCHEMBL1925446 0.90 CNR2 (0.49) CNR2CNR1MEN1POLBKMT2A
SCHEMBL1926887 0.85 PDE4A (0.45) CNR2CNR1MEN1KMT2APTGDR2
SCHEMBL1925812 0.84 SRC (0.40) CNR2SRC
SCHEMBL5584520 0.83 CNR2 (0.41) CNR2P2RY14MEN1POLBKMT2A
SCHEMBL2621644 0.83 P2RY14 (0.48) P2RY14PTGDR2HDAC3HDAC4HDAC1
SCHEMBL5584166 0.82 CNR2 (0.45) CNR2MEN1KMT2AHDAC3HDAC4
SCHEMBL5584459 0.82 KMT2A (0.49) CNR2MEN1KMT2A
SCHEMBL5584857 0.81 CNR2 (0.46) CNR2P2RY14CNR1MEN1KMT2A
SCHEMBL5584394 0.81 CNR2 (0.43) CNR2

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 CNR2 2914/4885P2RY14 1189/4885CNR1 1956/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 CNR2 1362/4885P2RY14 1515/4885CNR1 679/4885

“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.