SCHEMBL25877680

SCHEMBL25877680

CC1(Nc2ccc(NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.40
RORC P51449 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
PRMT1 Q99873 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38

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
SCHEMBL24140759 0.82 ALOX15 (0.42) SIRT2RORCCA12CA1CA9
SCHEMBL25877973 0.82 GSK3B (0.39) SIRT2ALDH1A1MAPTNPC1RAB9A
SCHEMBL25877652 0.80 NAMPT (0.52) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL25877751 0.79 MAPT (0.47) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL38654784 0.78 MAPT (0.55) SIRT2HTTALDH1A1CA12CA1
SCHEMBL79068 0.78 MAPT (0.55) SIRT2HTTALDH1A1CA12CA1
SCHEMBL25877950 0.77 HCAR3 (0.57) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL18630876 0.77 HCAR3 (0.46) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL1888212 0.76 LMNA (0.48) HTTALDH1A1CA12CA1CA9
SCHEMBL13077023 0.76 HCAR3 (0.56) HTTALDH1A1MAPTNPC1RAB9A

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 SIRT2 3433/4885HTT 1669/4885ALDH1A1 1451/4885

“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.