SCHEMBL99379

SCHEMBL99379

CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)CCCc2ccc(-c3ccccc3)c(NC(=O)O)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
WNT3A P56704 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
ABL1 P00519 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL101243 0.95 LMNA (0.41) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL100167 0.88 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL99306 0.85 CHRM3 (0.47)
SCHEMBL102617 0.85 HCAR2 (0.39) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL99669 0.85 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL100027 0.85 GAA (0.39) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL98653 0.85 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL98208 0.84 HCAR2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL99813 0.82 HCAR2 (0.44) RAB9AHTTMAPTHDAC1HDAC2
SCHEMBL102179 0.81 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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 RAB9A 1855/4885NPC1 2774/4885SMN1; SMN2 3566/4885

“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.