SCHEMBL3573082

SCHEMBL3573082

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAOA P21397 1/20 0.47
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.44
FFAR1 O14842 1/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3580415 0.86 KMT2A (0.52) MAOBMEN1KMT2AKDM4ERECQL
SCHEMBL3565935 0.85 MAOB (0.43) MAOBMEN1KMT2AMAOACYP2D6
SCHEMBL7921889 0.79 MAOB (0.68) MAOBMEN1KMT2AMAOACYP2D6
SCHEMBL3585190 0.78 SMN1; SMN2 (0.52) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3573084 0.77 MAOB (0.49) MAOBMEN1KMT2AMAOACYP2D6
SCHEMBL3566335 0.74 SMN1; SMN2 (0.51) MEN1KMT2AKDM4ERECQLALDH1A1
SCHEMBL16837039 0.74 CYP2D6 (0.59) MAOBMEN1KMT2AMAOACYP2D6
SCHEMBL16837036 0.74 CYP2D6 (0.59) MAOBMEN1KMT2AMAOACYP2D6
SCHEMBL3576285 0.73 ALDH1A1 (0.47) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL3576287 0.73 ALDH1A1 (0.47) MEN1KMT2ACYP2D6CYP2C9CYP2C19

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 3702/4885MEN1 4235/4885KMT2A 648/4885

“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.