Sugi Predict

Sugi Predict / Compounds / SCHEMBL1396155

SCHEMBL1396155

SCHEMBL1396155

C[Si](C)(C)CCOCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL21198513 0.82 ALDH1A1 (0.47) ALDH1A1PKML3MBTL1TAAR1SMN1; SMN2
SCHEMBL1396121 0.79 ALDH1A1 (0.52) ALDH1A1PKML3MBTL1TAAR1SMN1; SMN2
SCHEMBL25252035 0.76 ALDH1A1 (0.57) ALDH1A1PKMPOLBKMT2A
SCHEMBL2822834 0.75 DGAT1 (0.38) —
SCHEMBL15741928 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL111672 0.74 DGAT1 (0.34) —
SCHEMBL1396117 0.74 DGAT1 (0.37) —
SCHEMBL31091884 0.74 DGAT1 (0.37) —
SCHEMBL19924651 0.74 DGAT1 (0.34) —
SCHEMBL20367231 0.74 DGAT1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 — — US disclosed
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 — — US disclosed
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2021-06-10 — — US disclosed
CN-107922386-B 1, 4-disubstituted imidazole derivatives 大日本住友制药株式会社 2021-04-02 — — CN disclosed
US-10807945-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-20 — — US disclosed
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 — — US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 — — US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 — — EP disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 — — US disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 — — US disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 — — US disclosed
WO-2017146128-A1 IMIDAZOLYLAMIDE DERIVATIVE 大日本住友製薬株式会社 2017-08-31 — — WO disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 — — US disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 — — US disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 — — US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 — — US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 — — US disclosed
EP-2288602-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2011-03-02 — — EP disclosed
WO-2009150462-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-17 — — WO 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 (7 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-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 ALDH1A1 278/4885PKM 4867/4885L3MBTL1 3296/4885
US-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 ALDH1A1 625/4885PKM 4773/4885L3MBTL1 4071/4885
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 ALDH1A1 278/4885PKM 4867/4885L3MBTL1 3296/4885
US-11661397-B2 1,4-disubstituted imidazole derivative NR4A3, NR0B1, NR2C2 ALDH1A1 278/4885PKM 4867/4885L3MBTL1 3296/4885
US-10807945-B2 1,4-disubstituted imidazole derivative NR0B1, NR4A3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 258/4885PKM 4838/4885L3MBTL1 2143/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ALDH1A1 625/4885PKM 4773/4885L3MBTL1 4071/4885
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 ALDH1A1 855/4885PKM 2762/4885L3MBTL1 3406/4885

“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.