Sugi Predict

Sugi Predict / Compounds / SCHEMBL3337649

SCHEMBL3337649

SCHEMBL3337649

CC(C)(C)OC(=O)n1nc(C2CC2)c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL3340167 0.96 HPGD (0.34) HPGDKDM4EALDH1A1MEN1TSHR
SCHEMBL11897506 0.90 CYP11B2 (0.36) HPGDALDH1A1HTTCYP11B2SLC22A12
SCHEMBL11897199 0.86 CYP11B2 (0.33) HPGDALDH1A1CYP11B2SLC22A12
SCHEMBL3339531 0.84 MAP2K4 (0.34) SLC22A12L3MBTL1MAP2K4
SCHEMBL257418 0.84 RORC (0.34) KDM4EALDH1A1MAP2K4
SCHEMBL177174 0.83 MAP2K4 (0.39) CYP11B2MAP2K4
SCHEMBL2239597 0.82 MAP2K4 (0.35) SLC22A12MAP2K4
SCHEMBL2238954 0.82 SLC22A12 (0.35) SLC22A12L3MBTL1MAP2K4
SCHEMBL2303734 0.78 ESR2 (0.40) HPGDKDM4EALDH1A1MEN1TSHR
SCHEMBL12090383 0.78 GPR119 (0.39) KMT2ACYP11B2MAPTNPSR1L3MBTL1

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-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 — — US claimed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 — — US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 — — US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 — — US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 — — US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 — — US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 — — US disclosed
WO-2010041568-A1 INDAZOLE DERIVATIVE 旭化成ファーマ株式会社 (JP) 2010-04-15 — — 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 (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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 HPGD 1367/4885KDM4E 4383/4885ALDH1A1 286/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 HPGD 1892/4885KDM4E 4550/4885ALDH1A1 160/4885

“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.