SCHEMBL3168592

SCHEMBL3168592

COCCOc1cc(C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.51
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
VCAM1 P19320 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL16938768 0.88 NPC1 (0.46) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL27625069 0.85 S1PR4 (0.48) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL23914959 0.84 MAPT (0.51) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL15716580 0.83 S1PR4 (0.51) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL6359199 0.82 S1PR4 (0.45) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL3165217 0.82 MAPT (0.56) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL9732941 0.81 ALDH1A1 (0.46) S1PR4MAPTALDH1A1LMNAMAPK1
SCHEMBL8297106 0.79 L3MBTL1 (0.54) S1PR4MAPTALDH1A1MAPK1POLB
SCHEMBL6566114 0.78 S1PR4 (0.41) S1PR4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL28696650 0.78 S1PR4 (0.47) S1PR4MAPTALDH1A1LMNAMAPK1

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 8 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-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
CN-101570517-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-11-04 CN disclosed
CN-100554257-C 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-10-28 CN disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
CN-1708489-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2005-12-14 CN 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 S1PR4 223/4885MAPT 2279/4885ALDH1A1 290/4885

“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.