SCHEMBL100226

SCHEMBL100226

CC(=O)OCc1ccc(C(=O)NCCc2ccc(-c3ccccc3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
PTAFR P25105 1/20 0.42

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
SCHEMBL99481 0.87 NPC1 (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1TAAR1
SCHEMBL99480 0.86 RAB9A (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TAAR1
SCHEMBL98541 0.75 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1TAAR1
SCHEMBL99548 0.72 CHRM3 (0.55)
SCHEMBL27559990 0.71 FFAR1 (0.53) RAB9AALDH1A1
SCHEMBL3082525 0.71 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL15156941 0.70 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL8441836 0.69 MAPT (0.59) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL3905288 0.69 ALDH1A1 (0.58) RAB9ANPC1MAPTMAPK1ALDH1A1
SCHEMBL27751951 0.69 NPC1 (0.72) RAB9ANPC1SMN1; SMN2L3MBTL1TAAR1

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-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
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.