SCHEMBL293519

SCHEMBL293519

O=C1O[C@H]([C@@H]2CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.49
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL293521 1.00 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1EPHX2
SCHEMBL292431 0.84 ALDH1A1 (0.58) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL292429 0.84 ALDH1A1 (0.58) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291869 0.83 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291871 0.83 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291745 0.82 ALDH1A1 (0.52) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291743 0.82 ALDH1A1 (0.52) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291393 0.80 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL291395 0.80 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1PKM
SCHEMBL292637 0.80 ALDH1A1 (0.50) ALDH1A1LMNAPOLBNPC1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 ALDH1A1 1293/4885LMNA 1720/4885POLB 2263/4885

“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.