SCHEMBL25877422

SCHEMBL25877422

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.45
MYC P01106 2/20 0.44
MAX P61244 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HTT P42858 2/20 0.43
AR P10275 1/20 0.43
PELP1 Q8IZL8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL30623210 0.90 VCAM1 (0.50) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL26122443 0.90 VCAM1 (0.50) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL25877473 0.86 LMNA (0.46) ALDH1A1PKMLMNAHTTKMT2A
SCHEMBL27111002 0.82 VCAM1 (0.45) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL24140593 0.80 HDAC1 (0.50) ALDH1A1HPGDNPSR1
SCHEMBL30028874 0.79 VCAM1 (0.43) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL223175 0.78 VCAM1 (0.57) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL29557079 0.78 VCAM1 (0.57) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL30028806 0.78 VCAM1 (0.44) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL24958856 0.78 VCAM1 (0.44) VCAM1ALDH1A1PKMLMNAHPGD

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 VCAM1 3452/4885ALDH1A1 1451/4885PKM 3542/4885

“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.