SCHEMBL23623017

SCHEMBL23623017

O=C(Nc1ccc(C2CC(F)(F)C2)c(F)c1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.49
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTR1D P28221 4/20 0.39
HTR1B P28222 2/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23623149 0.90 STING1 (0.48) STING1RAB9A
SCHEMBL23622927 0.89 STING1 (0.64) STING1MAPTNPC1RAB9A
SCHEMBL23625790 0.84 STING1 (0.41) STING1
SCHEMBL23625760 0.82 STING1 (0.45) STING1MAPTHTR1DHTR1BHTR1F
SCHEMBL23622980 0.81 STING1 (0.48) STING1NPC1
SCHEMBL23622979 0.81 STING1 (0.46) STING1ALDH1A1MAPTNPC1RAB9A
SCHEMBL23623008 0.79 STING1 (0.43) STING1
SCHEMBL23625759 0.79 STING1 (0.40) STING1ALDH1A1MAPTHTR1DHTR1B
SCHEMBL23623037 0.78 STING1 (0.62) STING1MAPT
SCHEMBL22803789 0.77 ESR1 (0.49) NPC1RAB9A

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 STING1 1/4885KDM4E 3761/4885ALDH1A1 4654/4885

“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.