SCHEMBL25877891

SCHEMBL25877891

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
PKM P14618 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 5/20 0.51
VCAM1 P19320 4/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 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
SCHEMBL25877435 0.87 ALDH1A1 (0.42) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL24140701 0.83 ALDH1A1 (0.47) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL25877480 0.79 MAPT (0.38) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL25877451 0.75 VCAM1 (0.44) ALDH1A1PKMPOLBKMT2ALMNA
SCHEMBL25877386 0.75 MAPK1 (0.47) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL25877473 0.74 LMNA (0.46) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL25877683 0.73 HTT (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25877422 0.73 VCAM1 (0.48) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL25877536 0.70 KDM4E (0.44) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL25877795 0.70 LATS1 (0.41) ALDH1A1POLBMEN1KMT2AHTT

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 ALDH1A1 1451/4885PKM 3542/4885POLB 64/4885

“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.