SCHEMBL29310296

SCHEMBL29310296

C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.58
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL17645091 1.00 SIRT6 (0.58) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL17631074 1.00 SIRT6 (0.58) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL22471521 0.80 SIRT6 (0.52) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL23524643 0.80 MAPT (0.55) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL23444413 0.80 MAPT (0.55) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL23524639 0.80 MAPT (0.55) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL6912775 0.80 MAPT (0.55) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL12424153 0.80 SIRT6 (0.47) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL25707166 0.79 MAPT (0.56) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL8448356 0.78 HRH3 (0.56) SIRT6LMNAMAPTMEN1KMT2A

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 2 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

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 SIRT6 1892/4885LMNA 3233/4885MAPT 3813/4885

“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.