SCHEMBL4094748

SCHEMBL4094748

COc1cc2c(cc1[N+](=O)[O-])N(C)C(=O)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
HTR1A P08908 2/20 0.42
HTR2C P28335 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL29847092 0.86 TDP1 (0.40) TDP1HTR1AHTR2CSIRT6LMNA
SCHEMBL13849355 0.80 HTR1A (0.46) HTR1AHTR2CALDH1A1CYP11B1CYP11B2
SCHEMBL30954116 0.80 HTR1A (0.46) HTR1AHTR2CALDH1A1CYP11B1CYP11B2
SCHEMBL29010945 0.80 SIRT6 (0.45) TDP1SIRT6LMNAALDH1A1CYP11B1
SCHEMBL28831754 0.79 TDP1 (0.48) TDP1SIRT6LMNAALDH1A1KMT2A
SCHEMBL4256171 0.78 CYP11B2 (0.39) LMNAALDH1A1CYP11B1CYP11B2KMT2A
SCHEMBL30954100 0.78 HTR1A (0.45) HTR1AHTR2CCYP11B1CYP11B2PDE3B
SCHEMBL27433237 0.78 HTR1A (0.45) HTR1AHTR2CCYP11B1CYP11B2PDE3B
SCHEMBL4103368 0.78 HTR1A (0.45) HTR1AHTR2CCYP11B1CYP11B2PDE3B
SCHEMBL27432475 0.78 HTR1A (0.45) HTR1AHTR2CALDH1A1CYP11B1CYP11B2

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
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS TDP1 269/4885HTR1A 2537/4885HTR2C 2660/4885

“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.