SCHEMBL7044716

SCHEMBL7044716

Cc1nc(-c2nc(N(C)c3ccc(Cl)cc3)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.30

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
SCHEMBL7046838 0.89 MAPT (0.49) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL7043420 0.77 NPC1 (0.43) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL7045359 0.76 PPIA (0.40) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL7035896 0.76 NPC1 (0.43) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL7046809 0.75 MAPT (0.39) MAPTKMT2AMEN1
SCHEMBL7043666 0.75 MAPT (0.47) MAPTMAPK1TDP1ALDH1A1CYP1A2
SCHEMBL7045767 0.73 MAPT (0.37) MAPTKMT2AMAPK1TDP1ALDH1A1
SCHEMBL7044714 0.73 MAPT (0.44) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL8119258 0.72 MAPT (0.48) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL6701455 0.70 MAPT (0.41) MAPTNPC1RAB9AKMT2AMAPK1

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 MAPT 2656/4885NPC1 2289/4885RAB9A 3701/4885

“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.