SCHEMBL3851646

SCHEMBL3851646

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PABPC1 P11940 1/20 0.59
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
LMNA P02545 3/20 0.43
TSHR P16473 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
GABRG2 P18507 2/20 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
SCHEMBL3856237 0.96 MEN1 (0.57) MEN1KMT2APABPC1CA12CA1
SCHEMBL3855876 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL3856268 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL29093446 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL3853544 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL28688739 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL29093251 0.95 MEN1 (0.56) MEN1KMT2APABPC1CA12CA1
SCHEMBL3854103 0.93 MEN1 (0.61) MEN1KMT2APABPC1CA12CA1
SCHEMBL19979295 0.89 MEN1 (0.57) MEN1KMT2APABPC1CA12CA1
SCHEMBL3860588 0.88 MEN1 (0.51) MEN1KMT2APABPC1CA12CA1

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 9 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

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-20080044457-A1 Pharmaceutical Composition Comprising Temozolomide Ester MGMT, TET1, CYP2C8 MEN1 211/4885KMT2A 597/4885PABPC1 3682/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B MEN1 882/4885KMT2A 524/4885PABPC1 2801/4885

“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.