SCHEMBL22777932

SCHEMBL22777932

C[Si](C)(C)CCOCn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
CDC7 O00311 1/20 0.40
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL29714393 1.00 HTR7 (0.47) HTR7CDC7MAPTCYP1A2AR
SCHEMBL28991151 0.80 HTR2A (0.34) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2144638 0.80 NPC1 (0.46) MAPTCYP1A2NPC1RAB9AMEN1
SCHEMBL26728337 0.79 HTR2A (0.48) HTR7
SCHEMBL29714404 0.78 DGAT1 (0.36) NPC1
SCHEMBL22778051 0.78 DGAT1 (0.36) NPC1
SCHEMBL30475587 0.78 HTR7 (0.42) HTR7
SCHEMBL8252347 0.78 HTR7 (0.42) HTR7
SCHEMBL25235605 0.77 PKM (0.53) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30166768 0.77 PKM (0.53) MAPTMEN1KMT2ASMN1; SMN2LMNA

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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR7 1182/4885CDC7 646/4885MAPT 3076/4885

“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.