SCHEMBL3565201

SCHEMBL3565201

Cc1cccc(OCC(CNc2ccccc2[N+](=O)[O-])NC(=O)Nc2ccccc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
CXCR1 P25024 1/20 0.38

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 0.87 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL3576285 0.87 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL3577900 0.83 RAB9A (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL3574844 0.81 POLB (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL3565935 0.80 MAOB (0.43) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3576228 0.79 ALDH1A1 (0.43) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL3577627 0.77 MEN1 (0.43) RAB9AALDH1A1L3MBTL1HTTKMT2A
SCHEMBL3575803 0.77 MEN1 (0.43) RAB9AALDH1A1L3MBTL1HTTKMT2A
Bromide SCHEMBL3571795 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL3576724 0.75 CCKBR (0.40) RAB9AALDH1A1L3MBTL1HTTMAPT

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 SMN1; SMN2 891/4885RAB9A 4047/4885NPC1 3985/4885

“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.