SCHEMBL3152148

SCHEMBL3152148

O=[N+]([O-])c1ccn(-c2ccc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
DBH P09172 1/20 0.34

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
SCHEMBL1354151 0.72 ALDH1A1 (0.50) LMNAMEN1KMT2AHPGDALOX12
SCHEMBL4663207 0.69 AURKA (0.33)
SCHEMBL15575892 0.69
SCHEMBL15639621 0.68 ALDH1A1 (0.42) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7972 0.67 MEN1 (0.31) MEN1KMT2AGAAALDH1A1CYP1A2
SCHEMBL27858734 0.67 MGLL (0.41) LMNAKMT2AGAAHPGDSMN1; SMN2
SCHEMBL16423159 0.66 POLB (0.53) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9336032 0.66 MIF (0.44) LMNAKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28169796 0.65 CYP1A2 (0.46) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL28287048 0.63 ALDH1A1 (0.43) LMNAMEN1KMT2AL3MBTL1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 US disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 WO 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-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 LMNA 1697/4885MEN1 2798/4885KMT2A 3600/4885

“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.