SCHEMBL642223

SCHEMBL642223

O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SENP7 Q9BQF6 2/20 0.62
CASP3 P42574 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 2/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
NR1H4 Q96RI1 2/20 0.51
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 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
SCHEMBL641510 0.85 DHODH (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL641466 0.84 PLK1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL641661 0.83 F10 (0.63) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL641767 0.83 DEGS1 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL644422 0.81 PLK1 (0.63) SMN1; SMN2RXFP1NR1H4MAPTLMNA
SCHEMBL642937 0.81 PLK1 (0.63) SMN1; SMN2RXFP1NR1H4MAPTLMNA
SCHEMBL11879987 0.78 RAB9A (0.84) SMN1; SMN2NPC1RAB9ASENP7CASP3
SCHEMBL2290164 0.78 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ASENP7CASP3
SCHEMBL26671910 0.77 PLK1 (0.67) SMN1; SMN2NPC1RAB9AHSD17B10NR1H4
SCHEMBL27741786 0.77 NPC1 (0.72) SMN1; SMN2NPC1RAB9ASENP7CASP3

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 SMN1; SMN2 774/4885NPC1 763/4885RAB9A 1643/4885

“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.