SCHEMBL25877489

SCHEMBL25877489

CC1(Nc2cc(-n3cccn3)ccc2[N+](=O)[O-])COC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 7/20 0.39
HTR6 P50406 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 6/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL24140697 0.81 NLRP3 (0.42) MAPTALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL4137682 0.74 HPGD (0.51) MAPTALDH1A1MAPK1KMT2AHPGD
SCHEMBL25877480 0.73 MAPT (0.38) MAPTALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL25263270 0.73 DCTPP1 (0.38) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL25877386 0.72 MAPK1 (0.47) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL25877483 0.72 MAPT (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL5333636 0.72 LMNA (0.52) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL25218344 0.72 ALDH1A1 (0.43) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL19260129 0.72 MAPT (0.49) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL16150794 0.72 ALDH1A1 (0.47) MAPTALDH1A1MAPK1CYP3A4KMT2A

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 3694/4885ALDH1A1 1451/4885MAPK1 3534/4885

“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.