SCHEMBL3173753

SCHEMBL3173753

CCOC(=O)C=Cc1cc(OC)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45
DPP9 Q86TI2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
STAT3 P40763 1/20 0.45
FDPS P14324 1/20 0.44
BACE1 P56817 2/20 0.43
LMNA P02545 1/20 0.42
MCL1 Q07820 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
SCHEMBL3173742 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAOBMAPT
SCHEMBL3159026 0.90 RAB9A (0.48) ALDH1A1KDM4ETDP1MAPTRAB9A
SCHEMBL3159031 0.90 RAB9A (0.48) ALDH1A1KDM4ETDP1MAPTRAB9A
SCHEMBL8908144 0.90 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAOBMAPT
SCHEMBL8908142 0.90 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAOBMAPT
SCHEMBL5093403 0.89 STAT3 (0.49) ALDH1A1MAPTRAB9ADPP4PREP
SCHEMBL3168413 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1MAPTDPP4
SCHEMBL3168422 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1MAPTDPP4
SCHEMBL16373807 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1MAOBMAPT
SCHEMBL6318850 0.81 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAOBMAPT

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-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 ALDH1A1 290/4885KDM4E 3129/4885TDP1 2992/4885

“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.