SCHEMBL2993563

SCHEMBL2993563

NC(=O)Cn1cnc2ccsc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP7 Q93009 1/20 0.45
GAA P10253 1/20 0.43
PDE7A Q13946 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
USP19 O94966 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
PDPK1 O15530 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12761342 0.78 MEN1 (0.58) HDAC1KMT2AMEN1USP7PDE7A
SCHEMBL2995791 0.77 GAA (0.46) KMT2AUSP7GAARXFP1SMN1; SMN2
SCHEMBL12862604 0.75 MEN1 (0.54) HDAC1KMT2AMEN1USP7PDE7A
SCHEMBL3118173 0.73 SMN1; SMN2 (0.69) KMT2AMEN1GAARXFP1SMN1; SMN2
SCHEMBL3755622 0.73 MEN1 (0.58) HDAC1KMT2AMEN1USP7PDE7A
SCHEMBL18601303 0.71 MEN1 (0.47) HDAC1KMT2AMEN1USP7PDE7A
SCHEMBL10563362 0.70 NFE2L2 (0.60)
SCHEMBL10563371 0.70 NFE2L2 (0.60)
SCHEMBL10563356 0.70 NFE2L2 (0.60)
SCHEMBL13241728 0.70 SMN1; SMN2 (0.69) KMT2AMEN1GAARXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection SIGA TECHNOLOGIES, INC. 2010-07-29 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 (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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection EIF2AK2, HAVCR2, SNRPE HDAC1 1078/4885KMT2A 3347/4885MEN1 3401/4885

“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.