SCHEMBL641483

SCHEMBL641483

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CP(=O)(O)O)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ENPP2 Q13822 1/20 0.57
DGAT2 Q96PD7 1/20 0.57
LMNA P02545 1/20 0.57
STAT3 P40763 1/20 0.57
RARB P10826 3/20 0.55
NR1H4 Q96RI1 2/20 0.55
MAPT P10636 5/20 0.54
MCHR1 Q99705 1/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
MCL1 Q07820 1/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PLK1 P53350 1/20 0.51
XDH P47989 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL641557 0.89 LMNA (0.55) SMN1; SMN2LMNASTAT3RARBNR1H4
SCHEMBL643445 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT3RARBNR1H4
SCHEMBL9161294 0.83 SMN1; SMN2 (0.64) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL11034010 0.83 ENPP2 (0.66) ENPP2DGAT2RARBTSHRTP53
SCHEMBL11306410 0.83 ENPP2 (0.66) ENPP2DGAT2RARBTSHRTP53
SCHEMBL8824589 0.83 ENPP2 (0.66) ENPP2DGAT2RARBTSHRTP53
SCHEMBL643560 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNASTAT3RARBNR1H4
SCHEMBL642583 0.83 LMNA (0.55) SMN1; SMN2LMNASTAT3RARBNR1H4
SCHEMBL27619392 0.82 NR1H4 (0.63) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL641748 0.82 LMNA (0.52) SMN1; SMN2LMNASTAT3RARBNR1H4

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
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-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 SMN1; SMN2 774/4885ENPP2 195/4885DGAT2 1677/4885

“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.