SCHEMBL3853544

SCHEMBL3853544

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
PABPC1 P11940 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29093251 1.00 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3855876 1.00 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1
SCHEMBL28688739 1.00 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1
SCHEMBL29093446 1.00 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3856268 1.00 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3856237 0.99 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3851646 0.95 MEN1 (0.59) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3854103 0.90 MEN1 (0.61) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3860588 0.86 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3861517 0.86 MEN1 (0.51) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044457-A1 Pharmaceutical Composition Comprising Temozolomide Ester TIAN JIN KINSLY PHARMACEUTICAL R&D CO. LTD. (CN) 2008-02-21 US claimed
EP-1798234-A1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER Tianjin Tasly Group Co., Ltd. (CN) 2007-06-20 EP claimed
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
EP-1798234-B1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER TIANJIN TASLY GROUP CO LTD (CN) 2012-06-13 EP disclosed
US-7579336-B2 Pharmaceutical composition comprising temozolomide ester TIAN JIN TASLY GROUP CO., LTD. (CN) 2009-08-25 US disclosed
US-20080044457-A1 Pharmaceutical Composition Comprising Temozolomide Ester TIAN JIN KINSLY PHARMACEUTICAL R&D CO. LTD. (CN) 2008-02-21 US disclosed
EP-1798234-A1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER Tianjin Tasly Group Co., Ltd. (CN) 2007-06-20 EP 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 (3 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
US-20080044457-A1 Pharmaceutical Composition Comprising Temozolomide Ester MGMT, TET1, CYP2C8 MEN1 211/4885PABPC1 3682/4885KMT2A 597/4885
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.