SCHEMBL25877863

SCHEMBL25877863

CC1(Nc2ccccc2[N+](=O)[O-])CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 3/20 0.43
PKM P14618 1/20 0.43
ALPI P09923 1/20 0.43
KAT2B Q92831 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL30936627 0.95 MAPK1 (0.46) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL12028784 0.86 MAPK1 (0.44) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL25877386 0.84 MAPK1 (0.47) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL3958147 0.81 HTT (0.44) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4546434 0.80 MAPK1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL15006839 0.79 MAPK1 (0.60) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1271748 0.77 PDK1 (0.44) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL28784770 0.76 PDK1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL550289 0.75 ALDH1A1 (0.49) MAPK1ALDH1A1MAPTKMT2AMEN1
SCHEMBL103504 0.74 HCAR3 (0.55) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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 1 patent. 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

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 MAPK1 3534/4885ALDH1A1 1451/4885TDP1 28/4885

“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.