SCHEMBL4101072

SCHEMBL4101072

COC(=O)c1c(CCC(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
FBP1 P09467 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL4024208 0.85 SMN1; SMN2 (0.46) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL24861312 0.84 SMN1; SMN2 (0.49) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11338808 0.84 TDP1 (0.55) TDP1L3MBTL1FBP1ALDH1A1TSHR
SCHEMBL4089371 0.84 SMN1; SMN2 (0.45) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11871085 0.83 SMN1; SMN2 (0.49) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL283180 0.82 SMN1; SMN2 (0.47) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1613719 0.82 ALDH1A1 (0.44) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4101146 0.82 PTPN1 (0.46) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11398188 0.81 TDP1 (0.56) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2479192 0.80 SMN1; SMN2 (0.46) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT

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 6 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
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
CN-101048386-A Pyrimidine derivatives NOVARTIS AG (CH) 2007-10-03 CN 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 269/4885L3MBTL1 4365/4885SMN1; SMN2 2135/4885

“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.