SCHEMBL6835952

SCHEMBL6835952

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 8/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
PDK1 Q15118 1/20 0.42
SNCA P37840 1/20 0.42
PKM P14618 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
SCHEMBL6834085 0.94 MAPT (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL5952479 0.92 POLB (0.52) POLBHTTMAPTMEN1KMT2A
SCHEMBL11379383 0.92 POLB (0.52) POLBHTTMAPTMEN1KMT2A
SCHEMBL11057069 0.90 MAPT (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL14659288 0.86 TSHR (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL2880608 0.85 ALDH1A1 (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL12658952 0.84 SNCA (0.50) POLBHTTMAPTL3MBTL1ALDH1A1
SCHEMBL13375170 0.83 MAPT (0.45) POLBHTTMAPTMEN1KMT2A
SCHEMBL3344589 0.83 MAPT (0.52) POLBMAPTMEN1KMT2AMCL1
SCHEMBL2554501 0.82 TSHR (0.50) POLBHTTMAPTMEN1KMT2A

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.