SCHEMBL29903263

SCHEMBL29903263

CN1CCC(CNc2c([N+](=O)[O-])cccc2S(N)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4733973 0.86 KMT2A (0.45) ALDH1A1KMT2AMCOLN3ACHEDRD2
SCHEMBL30313896 0.83 NPY5R (0.41) ALDH1A1KMT2ADRD2ADRA2CNPY1R
SCHEMBL25176203 0.83 NPY5R (0.41) ALDH1A1KMT2ADRD2ADRA2CNPY1R
SCHEMBL30802191 0.83 NPY5R (0.37) ALDH1A1KMT2AMCOLN3PKMACHE
SCHEMBL29482112 0.83 NPY5R (0.38) ALDH1A1KMT2AMCOLN3PKMACHE
SCHEMBL22581389 0.82 MAPT (0.39) ALDH1A1KMT2APKMLMNAMEN1
SCHEMBL25176450 0.81 KMT2A (0.38) ALDH1A1KMT2APKMACHEDRD2
SCHEMBL25434751 0.78 METAP2 (0.39) ALDH1A1KMT2AMCOLN3ACHEDRD2
SCHEMBL29424523 0.76 MAPT (0.56) ALDH1A1KMT2APKMLMNAMEN1
SCHEMBL1700012 0.76 MAPT (0.56) ALDH1A1KMT2APKMLMNAMEN1

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-20220273666-A1 NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR RECURIUM IP HOLDINGS, LLC 2022-09-01 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-20220273666-A1 NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR BCL2, BCL2L2, BCL2L1 NSD2 961/4885ALDH1A1 1149/4885KMT2A 1466/4885

“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.