SCHEMBL21628340

SCHEMBL21628340

CC(C)Oc1cc(C(N)=O)cc2nc(N)n(CCCN3CCOCC3)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.52
KDM4E B2RXH2 4/20 0.45
GLA P06280 4/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RCE1 Q9Y256 1/20 0.45
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATR Q13535 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL19437519 0.89 STING1 (0.62) STING1KDM4EGLAGAAALDH1A1
SCHEMBL19437553 0.84 STING1 (0.57) STING1KDM4EGLAALDH1A1HPGD
SCHEMBL22135066 0.83 STING1 (0.57) STING1
SCHEMBL28522082 0.82 STING1 (0.56) STING1KDM4EGAA
SCHEMBL19436475 0.80 BACE1 (0.46) STING1KMT2A
SCHEMBL19436532 0.79 STING1 (0.68) STING1
SCHEMBL19437676 0.79 STING1 (0.85) STING1
Bromide SCHEMBL23327843 0.79 STING1 (0.67) STING1
Bromide SCHEMBL29619902 0.79 STING1 (0.67) STING1
SCHEMBL22150070 0.78 STING1 (0.75) STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975287-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-04-13 US disclosed
US-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-15 US disclosed
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 EP 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-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS ARGLU1, G3BP1, G3BP2 STING1 2510/4885KDM4E 2147/4885GLA 3099/4885
US-10975287-B2 Heterocyclic amides useful as protein modulators ARGLU1, G3BP1, G3BP2 STING1 2510/4885KDM4E 2147/4885GLA 3099/4885

“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.