SCHEMBL23612286

SCHEMBL23612286

O=[N+]([O-])c1ccc(N2CCN(CCC(F)(F)F)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPBWR1 P48145 1/20 0.60
MCHR1 Q99705 1/20 0.60
LMNA P02545 2/20 0.59
ALOX12 P18054 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ATM Q13315 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CRBN Q96SW2 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
NPY2R P49146 1/20 0.44
PANK3 Q9H999 1/20 0.44

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
SCHEMBL23612280 0.94 MAPT (0.55) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL23612213 0.93 MAPT (0.54) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL31216516 0.87 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1682842 0.80 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1725016 0.80 MAPT (0.60) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL2254367 0.79 MAPT (0.59) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL854731 0.78 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL30464683 0.78 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL23612145 0.78 GRIN2D (0.43) MAPTLMNA
SCHEMBL29988378 0.78 GRIN2D (0.43) MAPTLMNA

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 5 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
EP-4085051-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP 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 MAPT 3027/4885ALDH1A1 4654/4885L3MBTL1 2331/4885

“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.