SCHEMBL3574850

SCHEMBL3574850

Cc1cccc(ON(C(=O)OCc2ccccc2)C(C)CNc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
APP P05067 1/20 0.36
GAA P10253 2/20 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
SCHEMBL3576288 0.88 POLB (0.44) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL3574844 0.77 POLB (0.41) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL3576285 0.72 ALDH1A1 (0.47) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL3576287 0.72 ALDH1A1 (0.47) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL3571795 0.68 SMN1; SMN2 (0.48) ALDH1A1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL7037206 0.68 GSTP1 (0.55) ALDH1A1
SCHEMBL13941340 0.67 MAPT (0.59) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6672269 0.67 RAB9A (0.61) ALDH1A1POLBMAPTRAB9ANPC1
SCHEMBL3573084 0.67 MAOB (0.49) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL28956306 0.67 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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 (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-20060270693-A1 Ether derivative UROD, IL5, IL17A ALDH1A1 126/4885POLB 2803/4885MAPT 694/4885

“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.