SCHEMBL4529461

SCHEMBL4529461

CCOC(=O)C[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL10575305 1.00 MIF (0.37) MIFSIGMAR1IDO1CYP3A4CYP2D6
SCHEMBL10570193 0.88 SMYD2 (0.33) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5093111 0.88 SMYD2 (0.33) MIFCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2299440 0.81 POLB (0.40) IDO1KMT2ATSHRHSD17B10L3MBTL1
SCHEMBL13866345 0.79 SMYD2 (0.36) CYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL13866344 0.77 SMYD2 (0.34) CYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL31645184 0.76 SMN1; SMN2 (0.40) KMT2AHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL31644778 0.76 BACE1 (0.32) KMT2AMEN1
SCHEMBL21827833 0.76 MEN1 (0.41) KMT2ATSHRHSD17B10L3MBTL1MEN1
SCHEMBL22283773 0.76 MEN1 (0.41) KMT2ATSHRHSD17B10L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-20060019959-A1 Novel quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. TSUKUBA RESEARCH INSTITUTE (JP) 2006-01-26 — — US disclosed
EP-1557418-A1 NOVEL QUINOXALINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 MIF 4833/4885SIGMAR1 334/4885IDO1 1256/4885
US-20060019959-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB11 MIF 4837/4885SIGMAR1 313/4885IDO1 1148/4885

“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.

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