SCHEMBL1449060

SCHEMBL1449060

COC(=O)c1c([N+](=O)[O-])ccc(F)c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
CACNA1F O60840 1/20 0.38
GMNN O75496 1/20 0.38
KCNK2 O95069 1/20 0.38
ABCB11 O95342 1/20 0.38
GSR P00390 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 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
SCHEMBL1448737 0.92 KMT2A (0.37) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL1448297 0.85 FBP1 (0.43) KMT2ALMNAALDH1A1MEN1
SCHEMBL1448819 0.83 ABL1 (0.39) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL1448702 0.82 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL1448192 0.80 TDP1 (0.40) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL1448325 0.79 KMT2A (0.44) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL30395006 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL543121 0.76 TSHR (0.44) SMN1; SMN2KMT2ALMNAALDH1A1TDP1
SCHEMBL4089371 0.76 SMN1; SMN2 (0.45) CYP4A11SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL1448986 0.75 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ALMNAALDH1A1TDP1

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 CYP4A11 782/4885SMN1; SMN2 1651/4885KMT2A 3238/4885

“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.