SCHEMBL7093493

SCHEMBL7093493

[CH2]CCC(Nc1c([N+](=O)[O-])cnc2cccnc12)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.39
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
PDE10A Q9Y233 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALOX12 P18054 2/20 0.33
NSD2 O96028 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6924624 0.81 TLR8 (0.38)
SCHEMBL4782273 0.79 MEN1 (0.46) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL8147325 0.78 MAPT (0.46) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL2749235 0.77 MAPT (0.49) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL8144938 0.75 MAPT (0.48) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL1897205 0.74 MAPT (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL4155810 0.74 MAPT (0.40) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL191477 0.74 MAPT (0.48) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL12744372 0.72 MAPT (0.46) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13914461 0.72 PDE10A (0.43) MAPTALDH1A1KMT2AMEN1TDP1

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-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 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-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS MAPT 4481/4885ALDH1A1 2124/4885KMT2A 4593/4885

“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.