SCHEMBL25877966

SCHEMBL25877966

CC(=O)Nc1cc([N+](=O)[O-])c(NC2(C)COC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
ALDH3A1 P30838 1/20 0.36
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
GALR2 O43603 1/20 0.35

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
SCHEMBL25877973 0.84 GSK3B (0.39) CYP1A2GAAMAPTNPSR1L3MBTL1
SCHEMBL25877783 0.81 ALDH1A1 (0.34) CYP1A2GAAHTTMAPTL3MBTL1
SCHEMBL25877969 0.80 CYP1A2 (0.38) CYP1A2HTTMAPTL3MBTL1KMT2A
SCHEMBL25877960 0.80 L3MBTL1 (0.41) CYP1A2GAAL3MBTL1SMN1; SMN2
SCHEMBL25877683 0.77 HTT (0.53) GAAHTTMAPTNPSR1L3MBTL1
Trifluoroacetic Acid SCHEMBL30472225 0.76 ABL1 (0.36) CYP1A2MAPTCYP2C9CYP2C19EGFR
SCHEMBL2019522 0.72 CYP1A2 (0.55) CYP1A2GAAHTTMAPTNPSR1
SCHEMBL29643004 0.72 CYP1A2 (0.55) CYP1A2GAAHTTMAPTNPSR1
SCHEMBL25877711 0.72 PKM (0.45) HTTMAPTNPSR1L3MBTL1KMT2A
SCHEMBL25877795 0.71 LATS1 (0.41) GAAHTTMAPTKMT2AMEN1

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 CYP1A2 4019/4885GAA 125/4885HTT 1669/4885

“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.