SCHEMBL101243

SCHEMBL101243

CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)CCc2ccc(-c3ccccc3)c(NC(=O)O)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
WNT3A P56704 1/20 0.40
HCAR2 Q8TDS4 3/20 0.40
ALDH1A1 P00352 1/20 0.39
PORCN Q9H237 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 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
SCHEMBL99379 0.95 RAB9A (0.48) LMNATSHRL3MBTL1RAB9AMEN1
SCHEMBL99813 0.87 HCAR2 (0.44) RAB9AHTTMAPTHCAR2
SCHEMBL101458 0.86 HCAR2 (0.45) LMNAL3MBTL1RAB9AMEN1KMT2A
SCHEMBL97973 0.85 CHRM3 (0.49)
SCHEMBL99712 0.85 HDAC1 (0.40) LMNATSHRL3MBTL1MEN1KMT2A
SCHEMBL98766 0.84 LTB4R (0.52) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL100652 0.84 HCAR2 (0.44) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL102082 0.84 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HCAR2AKR1C3
SCHEMBL101646 0.84 TSHR (0.50) LMNATSHRL3MBTL1RAB9AMEN1
SCHEMBL102147 0.83 LTB4R (0.44) MEN1KMT2AMAPTSMN1; SMN2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 LMNA 4683/4885TSHR 150/4885L3MBTL1 4610/4885

“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.