SCHEMBL682383

SCHEMBL682383

N[C@H](OC=O)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
FADS1 O60427 1/20 0.45

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
SCHEMBL681701 1.00 ALDH1A1 (0.45) ALDH1A1MAPTHTTFADS1
SCHEMBL683095 0.88 MAPT (0.46) ALDH1A1MAPTHTT
SCHEMBL682710 0.88 MAPT (0.46) ALDH1A1MAPTHTT
SCHEMBL678103 0.82 MAPT (0.49) ALDH1A1MAPTHTTFADS1
SCHEMBL678815 0.82 MAPT (0.49) ALDH1A1MAPTHTTFADS1
SCHEMBL678104 0.82 MAPT (0.49) ALDH1A1MAPTHTTFADS1
SCHEMBL679330 0.78 MAPT (0.50) ALDH1A1MAPTHTT
SCHEMBL679443 0.78 MAPT (0.50) ALDH1A1MAPTHTT
SCHEMBL679331 0.78 MAPT (0.50) ALDH1A1MAPTHTT
SCHEMBL678581 0.77 MAPT (0.65) ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US 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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 ALDH1A1 3208/4885MAPT 4872/4885HTT 4828/4885

“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.