SCHEMBL23320044

SCHEMBL23320044

CC(C)(C)OC(=O)Nc1cncn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NAMPT P43490 1/20 0.41
IDO1 P14902 4/20 0.41
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP17A1 P05093 1/20 0.38
SCD O00767 1/20 0.38
BCL2 P10415 1/20 0.37
GRIN2B Q13224 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL23320080 0.79 RAB9A (0.48) RAB9ANAMPTIDO1NPC1GAA
SCHEMBL18418861 0.78 NAMPT (0.40) RAB9ANAMPTIDO1CYP17A1CA1
SCHEMBL14827198 0.74 CNR2 (0.42) RAB9ANPC1KMT2AMEN1BRD9
SCHEMBL23719141 0.74 TSHR (0.53) RAB9AIDO1NPC1KMT2ATP53
SCHEMBL18693864 0.72 ALDH1A1 (0.56) GAAHTTLMNA
SCHEMBL6963518 0.71 SCD (0.48) NAMPTSCD
SCHEMBL18925833 0.71 ALDH1A1 (0.51) GAAHTTLMNA
SCHEMBL18694207 0.71 MAPK13 (0.56) GAASMN1; SMN2
SCHEMBL6970361 0.70 RAB9A (0.50) RAB9ANAMPTNPC1KMT2ABRD9
SCHEMBL18694788 0.70 NTRK1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
CN-112823151-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 CN disclosed
EP-3818044-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2021-05-12 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 (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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RAB9A 876/4885NAMPT 2899/4885IDO1 1263/4885

“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.