SCHEMBL642459

SCHEMBL642459

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)C(F)(F)P(=O)(O)OC(C)CC)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.52
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 2/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RARB P10826 3/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL642508 0.92 NR1H4 (0.54) NR1H4THRBALDH1A1HTTPLK1
SCHEMBL642515 0.91 LMNA (0.46) NR1H4ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL643776 0.88 NR1H4 (0.59) NR1H4THRBALDH1A1HTTPLK1
SCHEMBL642458 0.84 NR1H4 (0.56) NR1H4THRBALDH1A1HTTPLK1
SCHEMBL641436 0.84 NR1H4 (0.58) NR1H4THRBPLK1MAPTTP53
SCHEMBL641397 0.84 MCHR1 (0.48) NR1H4ALDH1A1PLK1MAPTTP53
SCHEMBL642610 0.84 PLK1 (0.51) NR1H4PLK1RARB
SCHEMBL643442 0.83 NR1H4 (0.61) NR1H4THRBALDH1A1HTTPLK1
SCHEMBL642554 0.81 NR1H4 (0.57) NR1H4THRBALDH1A1HTTPLK1
SCHEMBL642998 0.81 NR1H4 (0.56) NR1H4THRBPLK1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H4 984/4885THRB 3079/4885ALDH1A1 330/4885

“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.