Sugi Predict

Sugi Predict / Compounds / SCHEMBL417705

SCHEMBL417705

SCHEMBL417705

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALOX5 P09917 2/20 0.53
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAOB P27338 3/20 0.51
▸ MAOA P21397 2/20 0.51
▸ HTT P42858 1/20 0.50
▸ NR4A2 P43354 1/20 0.48

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
SCHEMBL12856432 0.89 ALOX5 (0.61) MAPTALDH1A1RAB9AKMT2ALMNA
SCHEMBL5335470 0.89 KMT2A (0.60) MAPTALDH1A1RAB9AKMT2ALMNA
SCHEMBL11265699 0.88 MEN1 (0.70) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL16396138 0.86 HTT (0.59) MAPTALDH1A1RAB9ALMNAALOX5
SCHEMBL11265305 0.86 MEN1 (0.55) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL7110502 0.86 MAOB (0.65) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL8561986 0.85 KMT2A (0.55) MAPTALDH1A1RAB9AKMT2ALMNA
SCHEMBL16897964 0.85 KMT2A (0.73) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL6851170 0.85 KMT2A (0.68) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL21483677 0.85 MAPT (0.55) MAPTALDH1A1RAB9AKMT2AMEN1

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 7 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-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 MAPT 1154/4885ALDH1A1 3234/4885RAB9A 3067/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ MAPT 1177/4885ALDH1A1 3160/4885RAB9A 3084/4885

“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.