SCHEMBL643796

SCHEMBL643796

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CCP(=O)(OCC)OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.58
RARB P10826 3/20 0.48
SUCNR1 Q9BXA5 1/20 0.47
ACAT1 P24752 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
SLC16A3 O15427 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL642216 0.90 PLK1 (0.60) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL644677 0.89 PLK1 (0.61) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL642937 0.83 PLK1 (0.63) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL644422 0.83 PLK1 (0.63) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL643797 0.83 PLK1 (0.53) PLK1RARBSUCNR1ACAT1NR1H4
SCHEMBL642659 0.82 LMNA (0.52) PLK1RARBNR1H4NPC1RAB9A
SCHEMBL643821 0.82 PLK1 (0.62) PLK1RARBACAT1NR1H4NPC1
SCHEMBL641691 0.81 PLK1 (0.61) PLK1RARBACAT1NR1H4NPC1
SCHEMBL643049 0.81 NR1H4 (0.59) PLK1RARBNR1H4RAB9ASMN1; SMN2
SCHEMBL26671910 0.79 PLK1 (0.67) PLK1ACAT1NR1H4NPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US claimed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 PLK1 1883/4885RARB 4739/4885SUCNR1 754/4885

“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.