SCHEMBL29310313

SCHEMBL29310313

CN1CCc2cc([N+](=O)[O-])cc(I)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GRIA1 P42261 3/20 0.40
GRIA2 P42262 3/20 0.40
GRIA3 P42263 3/20 0.40
GRIA4 P48058 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
XDH P47989 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL5442760 0.91 LMNA (0.47) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL29310339 0.88 LMNA (0.45) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL29310334 0.84 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1GRIA1GRIA2
SCHEMBL20214597 0.82 L3MBTL1 (0.44) LMNAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL29310311 0.82 HTR2A (0.47) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL5448248 0.76 KMT2A (0.45) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL3440743 0.76 GRIA1 (0.50) LMNAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL29310346 0.76 ESR2 (0.52) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL5445121 0.76 L3MBTL1 (0.47) LMNAMEN1KMT2AL3MBTL1GRIA1
SCHEMBL5441574 0.76 HTR2A (0.52) LMNAMEN1KMT2AHTTL3MBTL1

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B LMNA 3233/4885MEN1 1813/4885KMT2A 1422/4885

“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.