SCHEMBL3565935

SCHEMBL3565935

Cc1cccc(OC[C@H](COCc2cccc([N+](=O)[O-])c2)NC(=O)Nc2ccccc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 6/20 0.40
MAOA P21397 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3577627 0.89 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL3575803 0.89 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL3573082 0.85 MAOB (0.51) MAOBMAPTKDM4ECYP1A2CYP3A4
SCHEMBL3577900 0.82 RAB9A (0.47) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL3565201 0.80 SMN1; SMN2 (0.46) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3570887 0.77 KMT2A (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3576228 0.76 ALDH1A1 (0.43) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3576724 0.76 CCKBR (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3580415 0.74 KMT2A (0.52) MAOBKDM4EMEN1KMT2AHTT
SCHEMBL7921889 0.71 MAOB (0.68) MAOBCYP1A2CYP2D6CYP2C19MEN1

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 MAOB 3702/4885MAPT 694/4885KDM4E 374/4885

“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.