SCHEMBL13866342

SCHEMBL13866342

CC(C)(C)[Si](OC[C@@H]1CC[C@H](COC(=O)c2ccccc2)O1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CES2 O00748 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
POLB P06746 1/20 0.38
PPM1B O75688 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 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
SCHEMBL8157619 0.84 NPC1 (0.39) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL353648 0.83 SMYD2 (0.38) SMN1; SMN2CYP3A4
SCHEMBL13866341 0.83 SMYD2 (0.38) SMN1; SMN2CYP3A4
SCHEMBL354892 0.82 SMYD2 (0.38) CYP2C19SMN1; SMN2CYP3A4
SCHEMBL10237481 0.82 SMYD2 (0.38) CYP2C19SMN1; SMN2CYP3A4
SCHEMBL14440525 0.81 MEN1 (0.36) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL31129547 0.81 CHRNB2 (0.52) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL25331527 0.80 SMYD2 (0.38) MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL8936625 0.80 SMYD2 (0.38) MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL8936584 0.80 SMYD2 (0.38) MEN1KMT2ASMN1; SMN2CYP3A4

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 4 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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 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 (1 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 NPC1 1218/4885CHRNB2 629/4885CHRNA5 709/4885

“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.