SCHEMBL25877973

SCHEMBL25877973

CC1(Nc2cnc(NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
PRMT1 Q99873 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25877966 0.84 CYP1A2 (0.48) DYRK1AMAPTSMN1; SMN2POLBLMNA
SCHEMBL25877680 0.82 SIRT2 (0.46) SIRT2MAPTNPC1RAB9APRMT1
SCHEMBL12341867 0.76 HTT (0.41) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL9909956 0.76 GSK3B (0.42) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL29783679 0.76 GSK3B (0.42) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL25877783 0.75 ALDH1A1 (0.34) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL12341868 0.75 LMNA (0.42) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL25877969 0.74 CYP1A2 (0.38) MAPTPOLBALDH1A1CYP1A2MAPK1
Trifluoroacetic Acid SCHEMBL30472225 0.73 ABL1 (0.36) MAPTPOLBLMNAALDH1A1CYP1A2
SCHEMBL29783653 0.72 GSK3B (0.38) GSK3BDYRK1AMAPTNPC1RAB9A

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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B GSK3B 2191/4885DYRK1A 4097/4885SIRT2 3433/4885

“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.