SCHEMBL7045359

SCHEMBL7045359

CCN(CC)c1nc(C)c([N+](=O)[O-])c(-c2c[nH]c(C)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
CFTR P13569 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7045767 0.83 MAPT (0.37) PPIATDP1MAPTMEN1KMT2A
SCHEMBL7046809 0.83 MAPT (0.39) MAPTMEN1KMT2ALMNA
SCHEMBL7044720 0.80 CRHR1 (0.42) PPIARAB9ATDP1MAPTMEN1
SCHEMBL7046838 0.78 MAPT (0.49) RAB9ATDP1GAAMAPTMEN1
SCHEMBL7043666 0.78 MAPT (0.47) TDP1MAPTLMNAPOLBALDH1A1
SCHEMBL28759722 0.78 TDP1 (0.46) PPIARAB9ATDP1GAAMAPT
SCHEMBL7044716 0.76 MAPT (0.42) RAB9ATDP1GAAMAPTMEN1
SCHEMBL7043420 0.71 NPC1 (0.43) RAB9ATDP1GAAMAPTMEN1
SCHEMBL7101569 0.69 KMT2A (0.43) RAB9ATDP1GAAMAPTMEN1
SCHEMBL7046695 0.69 ALDH1A1 (0.34) TDP1MAPTMEN1KMT2ALMNA

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
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 PPIA 1248/4885RAB9A 3701/4885TDP1 226/4885

“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.