SCHEMBL6834085

SCHEMBL6834085

CCc1cc([N+](=O)[O-])c(N)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
POLB P06746 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PDK1 Q15118 1/20 0.41
SNCA P37840 1/20 0.41
PKM P14618 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
SCHEMBL6835952 0.94 POLB (0.52) MAPTPOLBMEN1KMT2AHTT
SCHEMBL11379383 0.90 POLB (0.52) MAPTPOLBMEN1KMT2AHTT
SCHEMBL5952479 0.90 POLB (0.52) MAPTPOLBMEN1KMT2AHTT
SCHEMBL11057069 0.88 MAPT (0.50) MAPTPOLBMEN1KMT2AHTT
SCHEMBL12658952 0.87 SNCA (0.50) MAPTPOLBHTTL3MBTL1ALDH1A1
SCHEMBL2554501 0.85 TSHR (0.50) MAPTPOLBMEN1KMT2AHTT
SCHEMBL19339236 0.83 POLB (0.46) MAPTPOLBMEN1KMT2AHTT
SCHEMBL7473931 0.83 ALDH1A1 (0.54) MAPTPOLBMEN1KMT2AHTT
SCHEMBL19511923 0.82 MAPT (0.62) MAPTPOLBMEN1KMT2AMCL1
SCHEMBL13375170 0.82 MAPT (0.45) MAPTPOLBMEN1KMT2AHTT

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 MAPT 4771/4885POLB 47/4885MEN1 3860/4885

“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.