SCHEMBL29307652

SCHEMBL29307652

CC(=O)CCc1cn(CC(C)C)nn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.37
HDAC1 Q13547 8/20 0.37
ACHE P22303 2/20 0.37
NAMPT P43490 1/20 0.36
FFAR1 O14842 1/20 0.36
NEU4 Q8WWR8 1/20 0.35
NEU3 Q9UQ49 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL12640254 0.82 HDAC1 (0.46) DDX3XHDAC1CSNK2A1
SCHEMBL18289680 0.82 CYP19A1 (0.41) DDX3XHDAC1FFAR1CSNK2A1
SCHEMBL24247412 0.81 FFAR1 (0.39) DDX3XHDAC1FFAR1CSNK2A1
SCHEMBL24713570 0.80 POLB (0.43) ACHENAMPTNEU4NEU3
SCHEMBL17490608 0.79 EPHX2 (0.46) HDAC1CSNK2A1
SCHEMBL17776274 0.79 EPHX2 (0.46) HDAC1CSNK2A1
SCHEMBL25892147 0.78 HDAC1 (0.45) HDAC1CSNK2A1
SCHEMBL13925909 0.78 DDX3X (0.39) DDX3X
SCHEMBL18618632 0.78 CYP19A1 (0.54)
SCHEMBL13437065 0.78 FOLH1 (0.46) DDX3XHDAC1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036319-B2 Polyvalent sting activating compositions and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 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-12036319-B2 Polyvalent sting activating compositions and uses thereof STING1, CGAS, TLR7 DDX3X 459/4885HDAC1 4686/4885ACHE 4280/4885

“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.