SCHEMBL5091808

SCHEMBL5091808

O=C(ONNCC1CCC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.38
HDAC3 O15379 6/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
MLYCD O95822 1/20 0.37
EPHX1 P07099 2/20 0.33
HDAC2 Q92769 2/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 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
SCHEMBL4959801 0.95 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1MLYCD
SCHEMBL3488617 0.85 CNR2 (0.32) HDAC6HDAC3HDAC4HDAC1CYP2D6
SCHEMBL4432362 0.73 HDAC3 (0.40) HDAC6HDAC3HDAC4HDAC1MLYCD
SCHEMBL27718892 0.73 HDAC3 (0.41) HDAC6HDAC3HDAC4HDAC1MLYCD
SCHEMBL8512564 0.70 CA2 (0.36) POLBALDH1A1CA2
SCHEMBL4114063 0.69 PDK1 (0.36) EPHX1KDM4EALDH1A1
SCHEMBL28626663 0.68 EPHX1 (0.34) EPHX1KDM4EALDH1A1MMP2MMP8
SCHEMBL3383177 0.68 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1MLYCD
Trifluoroacetic Acid SCHEMBL5091803 0.66 CYP2D6 (0.41) HDAC6HDAC3HDAC4HDAC1MLYCD
SCHEMBL17317422 0.66 MLYCD (0.37) MLYCDMMP1MMP8CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
EP-1824847-A2 PYRIDAZINONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
US-20060189602-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006066079-A2 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2006-06-22 WO 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 (1 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-20060189602-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 HDAC6 1269/4885HDAC3 685/4885HDAC4 1652/4885

“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.