SCHEMBL4089371

SCHEMBL4089371

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 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
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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) SMN1; SMN2HDAC1HDAC6MAPTALDH1A1
SCHEMBL24861312 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL4101072 0.84 TDP1 (0.46) SMN1; SMN2HDAC1HDAC6MAPTALDH1A1
SCHEMBL11871085 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL283180 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL4101146 0.82 PTPN1 (0.46) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL1613719 0.82 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL11398188 0.81 TDP1 (0.56) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL2479192 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1TSHRTDP1
SCHEMBL1803625 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1TSHRTDP1

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 5 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
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 SMN1; SMN2 2135/4885HDAC1 4142/4885HDAC6 3315/4885

“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.