SCHEMBL6834544

SCHEMBL6834544

CCc1ccc([N+](=O)[O-])c(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
PDK1 Q15118 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 3/20 0.38
RECQL P46063 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
GRIN2D O15399 1/20 0.36

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
SCHEMBL1828132 0.82 TSHR (0.47) POLBHTTMAPTALDH1A1LMNA
SCHEMBL28827965 0.79 TDP1 (0.50) POLBHTTMAPTALDH1A1LMNA
SCHEMBL15174224 0.78 TDP1 (0.48) POLBHTTMAPTALDH1A1LMNA
SCHEMBL4592212 0.78 POLB (0.47) POLBHTTMAPTALDH1A1LMNA
SCHEMBL6835935 0.77 POLB (0.50) POLBHTTMAPTALDH1A1LMNA
SCHEMBL11599278 0.77 TSHR (0.55) MAPTALDH1A1TSHRTDP1MEN1
SCHEMBL2145662 0.76 ALDH1A1 (0.50) POLBMAPTALDH1A1LMNATSHR
SCHEMBL8403333 0.76 ALDH1A1 (0.45) POLBHTTMAPTALDH1A1LMNA
SCHEMBL23236393 0.76 POLB (0.42) POLBHTTMAPTALDH1A1LMNA
SCHEMBL2416170 0.76 TDP1 (0.50) POLBHTTMAPTALDH1A1TSHR

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 3 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

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 POLB 47/4885HTT 1439/4885MAPT 4771/4885

“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.