SCHEMBL641396

SCHEMBL641396

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RARB P10826 3/20 0.50
NR1H4 Q96RI1 2/20 0.50
PLK1 P53350 1/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.48
MCHR1 Q99705 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FAAH O00519 5/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL641683 0.91 LMNA (0.51) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL642514 0.90 SMN1; SMN2 (0.50) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL642507 0.90 NR1H4 (0.58) SMN1; SMN2RARBNR1H4PLK1MAPT
SCHEMBL642583 0.89 LMNA (0.55) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL643774 0.85 MCHR1 (0.48) RARBPLK1MAPTTP53MCHR1
SCHEMBL642209 0.85 SMN1; SMN2 (0.49) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL641799 0.84 PLK1 (0.58) LMNASMN1; SMN2RARBNR1H4PLK1
SCHEMBL644604 0.83 SMN1; SMN2 (0.56) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL643020 0.83 SMN1; SMN2 (0.53) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL643560 0.82 SMN1; SMN2 (0.58) LMNASTAT3SMN1; SMN2RARBNR1H4

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 LMNA 1589/4885STAT3 4828/4885SMN1; SMN2 774/4885

“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.