SCHEMBL26366608

SCHEMBL26366608

Cn1nnc2c(C(=O)OCCOCCOC(=O)c3ncn4c(=O)n(C)nnc34)ncn2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
PABPC1 P11940 1/20 0.61
KMT2A Q03164 1/20 0.61
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
GABRA5 P31644 5/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
HPGD P15428 1/20 0.33
GABRA1 P14867 4/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GABRA6 Q16445 1/20 0.31
SERPINE1 P05121 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3854103 0.90 MEN1 (0.61) MEN1PABPC1KMT2ACA12CA1
SCHEMBL21726067 0.89 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979299 0.88 MEN1 (0.59) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979304 0.87 MEN1 (0.50) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979294 0.87 MEN1 (0.55) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979293 0.87 MEN1 (0.55) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3855001 0.87 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979295 0.86 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979310 0.86 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3853544 0.85 MEN1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 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-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B MEN1 882/4885PABPC1 2801/4885KMT2A 524/4885

“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.