SCHEMBL25877480

SCHEMBL25877480

CC1(Nc2cc(Br)ccc2[N+](=O)[O-])COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
MAPK1 P28482 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SNCA P37840 1/20 0.34
POLB P06746 1/20 0.34
ABCB1 P08183 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
SCHEMBL25877536 0.89 KDM4E (0.44) MAPTMAPK1ALDH1A1KDM4EIDO1
SCHEMBL23042411 0.88 MAPT (0.39) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL29612473 0.88 MAPT (0.39) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL25877435 0.81 ALDH1A1 (0.42) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL30814767 0.80 MAPT (0.38) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL25877451 0.80 VCAM1 (0.44) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL25877386 0.79 MAPK1 (0.47) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL25877891 0.79 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL25877473 0.79 LMNA (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL30814749 0.78 MAPT (0.37) MAPTMAPK1ALDH1A1CYP1A2CYP2C9

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 MAPT 3694/4885MAPK1 3534/4885ALDH1A1 1451/4885

“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.