SCHEMBL4094609

SCHEMBL4094609

COc1cc(N2CCC[C@](C)(C(=O)O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 4/20 0.65
SIRT6 Q8N6T7 2/20 0.56
MAPT P10636 9/20 0.51
HTR6 P50406 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 2/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 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
SCHEMBL4094612 1.00 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL4094639 0.90 ALDH1A1 (0.63) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL4094634 0.90 ALDH1A1 (0.63) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL4094072 0.87 ALDH1A1 (0.58) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL4094079 0.87 ALDH1A1 (0.58) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL14637947 0.80 MAPT (0.55) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL6367942 0.80 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL29788578 0.80 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL12840924 0.79 LMNA (0.77) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL2205195 0.78 ALDH1A1 (0.97) ALDH1A1LMNASIRT6MAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
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 ALDH1A1 731/4885LMNA 4042/4885SIRT6 1151/4885

“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.