SCHEMBL25877483

SCHEMBL25877483

CC1(Nc2cc(-c3ccccn3)ccc2[N+](=O)[O-])COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABL1 P00519 2/20 0.35
BCR P11274 1/20 0.35
PRKCA P17252 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL24141184 0.81 HDAC1 (0.45) ABL1HDAC1HDAC2
SCHEMBL25877590 0.77 MAPT (0.34) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL25877471 0.77 POLB (0.35) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL25877386 0.76 MAPK1 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25877480 0.74 MAPT (0.38) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL31455134 0.73 MEN1 (0.44) MAPTNPC1RAB9APOLBMEN1
SCHEMBL25877489 0.72 MAPT (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL25877435 0.72 ALDH1A1 (0.42) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL25877795 0.71 LATS1 (0.41) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL25877451 0.71 VCAM1 (0.44) MAPTRAB9APOLBKMT2AALDH1A1

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 3694/4885NPC1 352/4885RAB9A 2016/4885

“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.