SCHEMBL3159031

SCHEMBL3159031

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
STAT3 P40763 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
MAPT P10636 1/20 0.39
AKR1B1 P15121 1/20 0.39
FDPS P14324 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 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
SCHEMBL3159026 1.00 RAB9A (0.48) RAB9ASTAT3LMNANPC1ALDH1A1
SCHEMBL3173753 0.90 ALDH1A1 (0.50) RAB9ASTAT3LMNAALDH1A1KDM4E
SCHEMBL3173742 0.90 ALDH1A1 (0.50) RAB9ASTAT3LMNAALDH1A1KDM4E
SCHEMBL3172755 0.89 LMNA (0.45) RAB9ALMNANPC1ALDH1A1KDM4E
SCHEMBL3172748 0.89 LMNA (0.45) RAB9ALMNANPC1ALDH1A1KDM4E
SCHEMBL5093403 0.89 STAT3 (0.49) RAB9ASTAT3LMNANPC1ALDH1A1
SCHEMBL8908142 0.82 ALDH1A1 (0.60) RAB9ASTAT3LMNAALDH1A1KDM4E
SCHEMBL8908144 0.82 ALDH1A1 (0.60) RAB9ASTAT3LMNAALDH1A1KDM4E
SCHEMBL3158955 0.80 POLB (0.42) RAB9AALDH1A1EGFRERBB2MAPT
SCHEMBL3158968 0.80 POLB (0.42) RAB9AALDH1A1EGFRERBB2MAPT

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 RAB9A 3713/4885STAT3 143/4885LMNA 3218/4885

“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.