SCHEMBL417403

SCHEMBL417403

Nc1cc(OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
MAOB P27338 4/20 0.53
LMNA P02545 3/20 0.53
NR4A2 P43354 2/20 0.52
PARP10 Q53GL7 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMPD1 P17405 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL16897964 0.90 KMT2A (0.73) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL6851170 0.90 KMT2A (0.68) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL4993714 0.88 TDP1 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL12856431 0.88 TDP1 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5221387 0.87 LMNA (0.62) KMT2AMEN1MAOBLMNANR4A2
SCHEMBL10137662 0.87 KMT2A (0.55) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL10169795 0.87 TDP1 (0.55) KMT2AMEN1TDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5221379 0.86 LMNA (0.60) KMT2AMEN1MAOBLMNANR4A2
SCHEMBL419486 0.85 KMT2A (0.47) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL7110511 0.84 MAOB (0.67) KMT2AMEN1MAOBNR4A2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
WO-2004018644-A2 HETEROGENEOUS FOLDAMERS CONTAINING α, β, AND/OR Ϝ-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-04 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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 KMT2A 3761/4885MEN1 2908/4885TDP1 1943/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ KMT2A 3597/4885MEN1 2992/4885TDP1 2264/4885

“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.