SCHEMBL25554362

SCHEMBL25554362

CC(=O)Nc1c[nH]c2ccc(Oc3ccc(C)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.46
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
PFKFB1 P16118 2/20 0.44
NR4A2 P43354 2/20 0.44
PFKFB2 O60825 1/20 0.43
PFKFB3 Q16875 1/20 0.43
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL25554608 0.86 MTNR1A (0.44) STING1CLK1CLK2CLK3CDK5
SCHEMBL31757548 0.85 STING1 (0.48) STING1CLK1CLK2CLK3CDK5
SCHEMBL25025855 0.85 STING1 (0.48) STING1CLK1CLK2CLK3CDK5
SCHEMBL25554352 0.85 HTR2C (0.47) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25554355 0.85 HTR2C (0.45) STING1CLK1CLK2CLK3CDK5
SCHEMBL25553501 0.84 MAPT (0.44) STING1PFKFB1NR4A2PFKFB2PFKFB3
SCHEMBL6100002 0.83 NR4A2 (0.61) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL25554345 0.82 MTNR1A (0.56) MTNR1AMTNR1BHSD17B10ALDH1A1HPGD
SCHEMBL25554309 0.82 PPARG (0.48) STING1MTNR1AMTNR1BALDH1A1MEN1
SCHEMBL25554476 0.81 MTNR1A (0.43) STING1CLK1CLK2CLK3CDK5

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 STING1 1/4885CLK1 1338/4885CLK2 1343/4885

“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.