SCHEMBL3075854

SCHEMBL3075854

COCCCc1nc2c(C(=O)OC)cccc2n1COCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CB P42338 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
PPARG P37231 1/20 0.35
MAPT P10636 2/20 0.35
MAP4K1 Q92918 1/20 0.34
PTGER4 P35408 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34

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
SCHEMBL21685763 0.88 NPC1 (0.39) NPC1KMT2APIK3CBPPARGMAPT
SCHEMBL3078966 0.82 SMN1; SMN2 (0.40) NPC1SMN1; SMN2TLR7PPARGMAPT
SCHEMBL21684567 0.82 DGAT1 (0.39) NPC1TLR7PPARGMAPTALDH1A1
SCHEMBL24512710 0.82 NPC1 (0.40) NPC1KMT2APIK3CBMAPTPTGER4
SCHEMBL3192274 0.82 CASR (0.39) NPC1SMN1; SMN2MAPTMAP4K1ALDH1A1
SCHEMBL3070127 0.81 SMN1; SMN2 (0.35) NPC1SMN1; SMN2MAPTMAP4K1ALDH1A1
SCHEMBL21684336 0.77 KDM4E (0.38) NPC1SMN1; SMN2MEN1KMT2APIK3CB
SCHEMBL29117063 0.76 TLR8 (0.38) NPC1SMN1; SMN2TLR7
SCHEMBL22717628 0.73 ALDH1A1 (0.38) NPC1SMN1; SMN2KMT2APIK3CBMAPT
SCHEMBL21684566 0.73 F11 (0.38) NPC1PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885SMN1; SMN2 4291/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885SMN1; SMN2 4291/4885MEN1 2817/4885

“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.