SCHEMBL5482778

SCHEMBL5482778

Cc1ccccc1N1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
LMNA P02545 3/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR3C1 P04150 1/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
FAAH O00519 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5480355 0.86 LMNA (0.48) LMNAMCOLN3MAPK1HSD11B1KMT2A
SCHEMBL11509430 0.78 LMNA (0.72) ALDH1A1LMNAMCOLN3HPGDMAPK1
SCHEMBL12626953 0.72 KMT2A (0.63) PARLALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL5475968 0.70 POLB (0.50) ALDH1A1LMNAHPGDMAPK1KMT2A
SCHEMBL30858424 0.69 DDB1 (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1519692 0.69 ALDH1A1 (0.69) PARLALDH1A1LMNAHSD11B1SMN1; SMN2
Ethylene SCHEMBL8377931 0.69 KMT2A (0.59) PARLALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL5482658 0.69 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20379965 0.69 KMT2A (0.76) ALDH1A1LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL16150923 0.68 HSD11B1 (0.55) ALDH1A1LMNAMCOLN3HPGDHSD11B1

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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 PARL 4023/4885ALDH1A1 1694/4885CTSG 2442/4885

“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.