SCHEMBL5353252

SCHEMBL5353252

Cn1nnc2c(C(O)=S)ncn2c1=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
PABPC1 P11940 1/20 0.68
KMT2A Q03164 1/20 0.68
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
HCAR3 P49019 1/20 0.33

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
SCHEMBL892333 0.88 MEN1 (0.78) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892401 0.87 MEN1 (0.77) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5353245 0.83 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
SCHEMBL799678 0.83 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891470 0.81 MEN1 (0.73) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3739 0.81 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3270220 0.81 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892439 0.80 KMT2A (0.55) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL4746638 0.80 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3784250 0.80 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173021-B2 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TIANJIN NORTH PHARM SCI-TECH CO., LTD. (CN) 2007-02-06 US disclosed
US-20060047117-A1 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TIANJIN NORTH PHARM SCI-TECH CO., LTD. (CN) 2006-03-02 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-20060047117-A1 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TET1, SLC16A1, ADH1A MEN1 222/4885PABPC1 4434/4885KMT2A 1472/4885

“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.