SCHEMBL22704580

SCHEMBL22704580

C/C=C(/N)NC(=O)c1nnn(C(C)(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL26306010 0.72 ALDH1A1 (0.63) ALDH1A1LMNAMAPT
SCHEMBL26556221 0.65 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL21675467 0.64 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL18812046 0.60 RIPK1 (0.37) ALDH1A1MAPT
SCHEMBL21372045 0.58 ALDH1A1 (0.59) ALDH1A1LMNAMAPT
SCHEMBL8608128 0.55 ALOX5 (0.45) ALDH1A1LMNA
SCHEMBL1408404 0.54
SCHEMBL25741926 0.54
SCHEMBL14982037 0.54 MEN1 (0.45) ALDH1A1LMNAMEN1CYP1A2KMT2A
SCHEMBL21728723 0.53 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPTMEN1CYP1A2

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-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators ALIGOS THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20200369711-A1 MODIFIED CYCLIC DINUCLEOSIDE COMPOUNDS AS STING MODULATORS ALIGOS THERAPEUTICS, INC. 2020-11-26 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 (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-20200369711-A1 MODIFIED CYCLIC DINUCLEOSIDE COMPOUNDS AS STING MODULATORS STING1, CGAS, IRF3 ALDH1A1 4794/4885LMNA 825/4885MAPT 4294/4885
US-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators STING1, CGAS, IRF3 ALDH1A1 4794/4885LMNA 825/4885MAPT 4294/4885

“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.