SCHEMBL7029927

SCHEMBL7029927

Cc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
LMNA P02545 3/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
APP P05067 3/20 0.50
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7043665 0.80 LMNA (0.50) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL7043673 0.80 LMNA (0.50) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL7048646 0.80 LMNA (0.55) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL7048650 0.79 LMNA (0.54) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL8125495 0.79 LMNA (0.51) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL8125842 0.72 HPGD (0.43) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL7044724 0.72 LMNA (0.42) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL22151175 0.72 APP (0.64) LMNASMN1; SMN2NPC1RAB9AAPP
SCHEMBL7147598 0.71 MAPT (0.79) KMT2ALMNAMAPTSMN1; SMN2POLB
SCHEMBL6696477 0.71 LMNA (0.41) KMT2ALMNATP53MAPTSMN1; SMN2

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 KMT2A 2560/4885LMNA 4154/4885TP53 1514/4885

“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.