Sugi Predict

Sugi Predict / Compounds / SCHEMBL8134347

SCHEMBL8134347

SCHEMBL8134347

[C-]#[N+]c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.46
▸ KAT2B Q92831 2/20 0.42
▸ ACHE P22303 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL6906465 0.85 TSHR (0.60) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL6651705 0.81 TSHR (0.60) TSHRCYP3A4GPR35KAT2BACHE
Hydrochloric Acid SCHEMBL11486109 0.80 TSHR (0.58) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL12582149 0.78 S100A4 (0.45) TSHRCYP3A4ACHEKDM4EALDH1A1
SCHEMBL29954420 0.77 ALDH1A1 (0.51) KDM4EALDH1A1MAPTMAPK1MCOLN3
SCHEMBL8148811 0.77 ALDH1A1 (0.51) KDM4EALDH1A1MAPTMAPK1MCOLN3
SCHEMBL2722562 0.76 HSD17B10 (0.48) TSHRGPR35HSD17B10ALDH1A1TDP1
SCHEMBL29950638 0.76 HSD17B10 (0.48) TSHRGPR35HSD17B10ALDH1A1TDP1
SCHEMBL294724 0.76 TSHR (1.00) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL10966954 0.74 TDP1 (0.64) TSHRCYP3A4GPR35HSD17B10ALDH1A1

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-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 — — US disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 — — US disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 — — US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 — — US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 — — US disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 — — 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 (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-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP TSHR 4786/4885CYP3A4 946/4885GPR35 3477/4885
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques APP, APBA1, PSEN1 TSHR 4641/4885CYP3A4 4587/4885GPR35 2188/4885

“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.