SCHEMBL25877683

SCHEMBL25877683

CC(=O)Nc1ccc([N+](=O)[O-])c(NC2(C)COC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 11/20 0.45
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH3A1 P30838 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL10790188 0.81 HTT (0.68) HTTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL24140935 0.80 HDAC1 (0.45) POLBMAPTALDH1A1TDP1NPSR1
SCHEMBL25877473 0.79 LMNA (0.46) HTTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7805730 0.78 HTT (0.78) HTTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL25877480 0.78 MAPT (0.38) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL25877422 0.78 VCAM1 (0.48) HTTKMT2AMEN1LMNAPOLB
SCHEMBL25877966 0.77 CYP1A2 (0.48) HTTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL25877652 0.76 NAMPT (0.52) HTTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL24140917 0.76 MAPT (0.43) HTTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL25877435 0.75 ALDH1A1 (0.42) KMT2AMEN1LMNAPOLBMAPT

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 HTT 1669/4885SMN1; SMN2 1598/4885KMT2A 3032/4885

“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.