SCHEMBL6834096

SCHEMBL6834096

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GAA P10253 1/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL6834233 0.91 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRL3MBTL1
SCHEMBL4308070 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRL3MBTL1
SCHEMBL6830905 0.87 GPR35 (0.42) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL6833502 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1PKMHPGD
SCHEMBL6830860 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL2949624 0.83 MEN1 (0.42) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL1970488 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRL3MBTL1HPGD
SCHEMBL2955209 0.81 MAPK1 (0.50) ALDH1A1SMN1; SMN2MAPK1MAPTHPGD
SCHEMBL4300511 0.80 TSHR (0.50) ALDH1A1SMN1; SMN2MAPK1TSHRL3MBTL1
SCHEMBL17667803 0.80 TSHR (0.44) ALDH1A1SMN1; SMN2MAPK1TSHRL3MBTL1

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 ALDH1A1 1966/4885SMN1; SMN2 4373/4885MAPK1 3287/4885

“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.