SCHEMBL25877846

SCHEMBL25877846

CCN(C(=O)OC(C)(C)C)c1ccc(NC2(C)COC2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 6/20 0.36
LMNA P02545 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
HCAR3 P49019 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL24141183 0.84 ALOX15 (0.39) MAPTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL77393 0.79 ADRB2 (0.43) MAPTLMNATDP1KMT2ASMN1; SMN2
SCHEMBL25877847 0.77 ALDH1A1 (0.39) MAPTNPSR1LMNAL3MBTL1KMT2A
SCHEMBL22897646 0.77 ALDH1A1 (0.39) MAPTNPSR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25877680 0.76 SIRT2 (0.46) MAPTMAPK1LMNATDP1KMT2A
SCHEMBL25877600 0.76 MAPT (0.50) MAPTNPSR1MAPK1TDP1L3MBTL1
SCHEMBL22897818 0.74 ALDH1A1 (0.35) MAPTNPSR1MAPK1LMNATDP1
SCHEMBL6081269 0.73 ALDH1A1 (0.57) MAPTMAPK1LMNATDP1L3MBTL1
SCHEMBL25877973 0.69 GSK3B (0.39) MAPTNPSR1MAPK1LMNATDP1
SCHEMBL13076214 0.69 HCAR3 (0.54) MAPTNPSR1LMNATDP1KMT2A

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 MAPT 3694/4885NPSR1 4798/4885MAPK1 3534/4885

“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.