SCHEMBL641917

SCHEMBL641917

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3cccc(P(=O)(O)OCC)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.62
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
STAT3 P40763 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
PLK1 P53350 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
NPC1 O15118 1/20 0.49
RARB P10826 3/20 0.49

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
SCHEMBL641435 0.91 NR1H4 (0.64) NR1H4THRBSMN1; SMN2LMNASTAT3
SCHEMBL643560 0.90 SMN1; SMN2 (0.58) NR1H4SMN1; SMN2LMNASTAT3MEN1
SCHEMBL641662 0.90 NR1H4 (0.67) NR1H4THRBSMN1; SMN2LMNASTAT3
SCHEMBL641436 0.87 NR1H4 (0.58) NR1H4THRBSMN1; SMN2MEN1KMT2A
SCHEMBL641423 0.87 NR1H4 (0.71) NR1H4THRBSMN1; SMN2LMNASTAT3
SCHEMBL643881 0.85 NR1H4 (0.61) NR1H4THRBSMN1; SMN2LMNASTAT3
SCHEMBL642997 0.83 NR1H4 (0.61) NR1H4THRBSMN1; SMN2LMNASTAT3
SCHEMBL644604 0.83 SMN1; SMN2 (0.56) NR1H4SMN1; SMN2LMNASTAT3MEN1
SCHEMBL642554 0.82 NR1H4 (0.57) NR1H4THRBSMN1; SMN2MEN1KMT2A
SCHEMBL643049 0.82 NR1H4 (0.59) NR1H4THRBSMN1; SMN2LMNASTAT3

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-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

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 3079/4885SMN1; 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.