SCHEMBL3576285

SCHEMBL3576285

Cc1cccc(OC[C@H](CNc2ccccc2[N+](=O)[O-])NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL3576287 1.00 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL3574844 0.89 POLB (0.41) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL3565201 0.87 SMN1; SMN2 (0.46) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL3578459 0.83 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTRAB9AL3MBTL1
Bromide SCHEMBL3571795 0.82 SMN1; SMN2 (0.48) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL3585190 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AADRB2ADRB1
SCHEMBL3576288 0.77 POLB (0.44) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL3566335 0.75 SMN1; SMN2 (0.51) ALDH1A1POLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL3574069 0.73 SMN1; SMN2 (0.53) POLBSMN1; SMN2L3MBTL1ADRB2ADRB1
SCHEMBL3573082 0.73 MAOB (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP1A2

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 2803/4885SMN1; SMN2 891/4885

“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.