SCHEMBL426034

SCHEMBL426034

O=CNS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GLO1 Q04760 1/20 0.46
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ GFER P55789 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SOS1 Q07889 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH3A1 P30838 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
SCHEMBL422831 0.84 TSHR (0.60) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL423265 0.78 CA1 (0.57) KMT2AMEN1TSHRALDH1A1
SCHEMBL417888 0.76 KMT2A (0.58) KMT2ATDP1GLO1SLC1A3SLC1A2
SCHEMBL425487 0.76 KMT2A (0.58) KMT2ATDP1SLC1A3SLC1A2SLC1A1
SCHEMBL427702 0.76 PGR (0.51) KMT2AALDH1A1MAPT
SCHEMBL430046 0.74 GBA1 (0.42) KMT2ASOS1
SCHEMBL423688 0.74 CA1 (0.57) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL14200126 0.73 KMT2A (0.54) KMT2ATDP1GLO1SLC1A3SLC1A2
SCHEMBL13908851 0.73 L3MBTL1 (0.65) KMT2ATDP1GLO1MEN1LMNA
SCHEMBL14378094 0.73 KMT2A (0.54) KMT2ATDP1GLO1SLC1A3SLC1A2

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-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 — — US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 — — EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 — — US disclosed
US-20110288093-A1 Compounds, Compositions, and Methods Comprising Pyridazine Sulfonamide Derivatives INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 — — 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-20110288093-A1 Compounds, Compositions, and Methods Comprising Pyridazine Sulfonamide Derivatives SCN1A, CLIC1, CLCN2 KMT2A 3738/4885TDP1 3307/4885GLO1 1211/4885
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 KMT2A 3094/4885TDP1 236/4885GLO1 1602/4885

“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.

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