SCHEMBL25877783

SCHEMBL25877783

CC1(Nc2cnc(Br)cc2[N+](=O)[O-])COC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 3/20 0.33
HTT P42858 2/20 0.33
AHR P35869 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL25877969 0.85 CYP1A2 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25877966 0.81 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25877536 0.79 KDM4E (0.44) ALDH1A1MAPTMAPK1GAALMNA
Trifluoroacetic Acid SCHEMBL30472225 0.76 ABL1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25877480 0.76 MAPT (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25877795 0.76 LATS1 (0.41) ALDH1A1MAPTMAPK1HTTGAA
SCHEMBL30789457 0.76 HCAR3 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1337856 0.76 HCAR3 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25877973 0.75 GSK3B (0.39) ALDH1A1MAPTCYP1A2MAPK1GAA
SCHEMBL23780208 0.75 HCAR3 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 1451/4885MAPT 3694/4885CYP1A2 4019/4885

“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.