SCHEMBL5359267

SCHEMBL5359267

CCCCNC(=O)c1ncn2c(=O)n(C)nnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
MEN1 O00255 1/20 0.59
PABPC1 P11940 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24230026 0.95 CA12 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL26366693 0.95 CA12 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL24230319 0.95 CA12 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL24230437 0.93 CA12 (0.64) CA12CA1CA2CA9MEN1
SCHEMBL24230347 0.90 CA12 (0.58) CA12CA1CA2CA9MEN1
SCHEMBL24230400 0.88 CA12 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL24230491 0.85 CA12 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL24230351 0.83 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL24230441 0.82 CA12 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL21711170 0.82 MEN1 (0.61) CA12CA1CA2CA9MEN1

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 5 patents. 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
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 US disclosed
WO-2022026756-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2022-02-03 WO disclosed
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 (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-20060047117-A1 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TET1, SLC16A1, ADH1A CA12 71/4885CA1 147/4885CA2 1321/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B CA12 1312/4885CA1 1243/4885CA2 4027/4885

“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.