SCHEMBL7043673

SCHEMBL7043673

Cc1nc(-c2nc(NCCc3ccccc3)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.47
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL7044724 0.92 LMNA (0.42) LMNATP53KMT2AMAPTHPGD
SCHEMBL7042028 0.91 KMT2A (0.45) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7048650 0.82 LMNA (0.54) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7029927 0.80 KMT2A (0.66) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL8125495 0.77 LMNA (0.51) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7045767 0.77 MAPT (0.37) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7043666 0.76 MAPT (0.47) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL8125842 0.75 HPGD (0.43) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7047413 0.74 PTGS2 (0.37) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7043665 0.74 LMNA (0.50) LMNATP53KMT2AMAPTALDH1A1

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

“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.