SCHEMBL25877600

SCHEMBL25877600

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 3/20 0.37
HCAR3 P49019 4/20 0.36
PTGS2 P35354 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
ALOX5 P09917 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL24140916 0.80 ALOX5 (0.35) MAPTALDH1A1SMN1; SMN2ALOX5
SCHEMBL3720192 0.79 HCAR3 (0.59) MAPTNPSR1ALDH1A1HTTHCAR3
SCHEMBL11744600 0.77 MAPT (0.64) MAPTNPSR1ALDH1A1HTTHCAR3
SCHEMBL25877536 0.76 KDM4E (0.44) MAPTTDP1ALDH1A1HCAR3MAPK1
SCHEMBL25877846 0.76 MAPT (0.38) MAPTNPSR1TDP1ALDH1A1TSHR
SCHEMBL585719 0.75 MAPT (0.46) MAPTNPSR1TDP1ALDH1A1TSHR
SCHEMBL11877200 0.75 ALDH1A1 (0.57) MAPTNPSR1TDP1ALDH1A1TSHR
SCHEMBL3719024 0.74 HCAR3 (0.61) MAPTNPSR1TDP1ALDH1A1TSHR
SCHEMBL3722356 0.74 HCAR3 (0.60) MAPTNPSR1TDP1ALDH1A1HCAR3
SCHEMBL11744519 0.74 TSHR (0.51) MAPTNPSR1TDP1ALDH1A1TSHR

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 4798/4885TDP1 28/4885

“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.