SCHEMBL25877950

SCHEMBL25877950

CC(C)(C)OC(=O)Nc1ccc(NC2CCC2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
WNK1 Q9H4A3 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 4/20 0.45
GPR55 Q9Y2T6 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL15532347 0.83 HTT (0.65) HCAR3KMT2AMEN1SMN1; SMN2WNK1
SCHEMBL24140573 0.81 ALOX15 (0.47) ALDH1A1
SCHEMBL18687511 0.80 HCAR3 (0.43) HCAR3KMT2AMEN1SMN1; SMN2WNK1
SCHEMBL29225976 0.80 KMT2A (0.54) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL18687361 0.80 HCAR3 (0.50) HCAR3KMT2AMEN1SMN1; SMN2WNK1
SCHEMBL30710454 0.79 CA12 (0.43) ALDH1A1
SCHEMBL32660016 0.79 HCAR3 (0.68) HCAR3KMT2AMEN1WNK1LMNA
SCHEMBL15321173 0.79 HCAR3 (0.68) HCAR3KMT2AMEN1WNK1LMNA
SCHEMBL30537061 0.78 MAPT (0.56) HCAR3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL29052936 0.78 MAPT (0.56) HCAR3KMT2AMEN1SMN1; SMN2RAB9A

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 HCAR3 3323/4885KMT2A 3032/4885MEN1 2245/4885

“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.