SCHEMBL25877646

SCHEMBL25877646

CC1(Nc2ccc(NC(=O)c3ccccn3)cc2[N+](=O)[O-])COC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
AURKB Q96GD4 1/20 0.52
BACE1 P56817 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
GRM4 Q14833 8/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL24140931 0.83 BACE1 (0.55) KDRBACE1NPC1RAB9ASMN1; SMN2
SCHEMBL25877652 0.78 NAMPT (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL25877550 0.77 L3MBTL1 (0.48) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL25877751 0.77 MAPT (0.47) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL25877680 0.76 SIRT2 (0.46) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL1455190 0.76 LMNA (0.62) KDRAURKBSMN1; SMN2GRM4LMNA
SCHEMBL29217379 0.74 MEN1 (0.62) KDRAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL25877683 0.72 HTT (0.53) RAB9ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL16592576 0.72 KDR (0.81) KDRAURKBNPC1RAB9ASMN1; SMN2
SCHEMBL25877386 0.72 MAPK1 (0.47) NPC1RAB9ASMN1; SMN2PKMLMNA

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 KDR 4192/4885AURKB 3421/4885BACE1 710/4885

“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.