SCHEMBL25877901

SCHEMBL25877901

CC1(Nc2ccncc2[N+](=O)[O-])COC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 5/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.47
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
POLB P06746 2/20 0.38
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL25877795 0.89 LATS1 (0.41) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL16657357 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL25877386 0.79 MAPK1 (0.47) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL30239656 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL186601 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL25877536 0.74 KDM4E (0.44) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL23852951 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL25885070 0.74 LATS1 (0.46) LATS1LATS2
SCHEMBL24141218 0.74 LATS1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL25877783 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTTGAA

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 1451/4885MEN1 2245/4885KMT2A 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.