SCHEMBL6834233

SCHEMBL6834233

CC(COC(=O)OCC(C)c1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
JMJD7 P0C870 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
S1PR4 O95977 1/20 0.40
PDE7A Q13946 1/20 0.39
HPGD P15428 2/20 0.39
PSMD14 O00487 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4308070 0.95 ALDH1A1 (0.46) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6834096 0.91 ALDH1A1 (0.44) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6834126 0.85 TDP1 (0.45) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6834433 0.84 ALDH1A1 (0.40) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL6833493 0.84 ALDH1A1 (0.40) MAPK1TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL4300511 0.81 TSHR (0.50) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7555813 0.81 TSHR (0.44) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17667803 0.81 TSHR (0.44) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL291947 0.80 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4715558 0.80 ALDH1A1 (0.50) MAPK1TSHRALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups NIGU CHEMIE GMBH (DE) 2002-10-10 US disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 WO 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-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 MAPK1 3287/4885TSHR 1680/4885ALDH1A1 1966/4885

“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.