SCHEMBL1448670

SCHEMBL1448670

COC(=O)c1c([N+](=O)[O-])ccc(OC)c1CBr

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 9/20 0.42
TDP1 Q9NUW8 4/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL31305147 0.89 TDP1 (0.46) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL1448689 0.84 ALDH1A1 (0.38) LMNAALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL18863187 0.83 TDP1 (0.42) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL1448819 0.83 ABL1 (0.39) LMNAALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL6581247 0.81 ALDH1A1 (0.46) LMNAALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL1448375 0.80 LMNA (0.49) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL5312707 0.79 SMN1; SMN2 (0.39) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL27248642 0.78 LMNA (0.48) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL6520014 0.78 ALDH1A1 (0.46) LMNAALDH1A1TDP1POLBKDM4E
SCHEMBL6902580 0.78 KMT2A (0.58) LMNAALDH1A1TDP1POLBKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 EP disclosed
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 EP disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1784399-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021457-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS LMNA 3279/4885ALDH1A1 955/4885TDP1 334/4885

“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.