SCHEMBL3070127

SCHEMBL3070127

COCCCc1nc2c(CCl)cccc2n1COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
MAP4K1 Q92918 1/20 0.34
NPC1 O15118 1/20 0.33
CASR P41180 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL3078966 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MAP4K1NPC1CASRMAPT
SCHEMBL3192274 0.82 CASR (0.39) SMN1; SMN2MAP4K1NPC1CASRMAPT
SCHEMBL3075854 0.81 NPC1 (0.37) SMN1; SMN2MAP4K1NPC1MAPTALDH1A1
SCHEMBL29117063 0.78 TLR8 (0.38) SMN1; SMN2NPC1CASRTLR8
SCHEMBL23497850 0.77 TLR8 (0.41) NPC1CASRALDH1A1TLR8
SCHEMBL23497567 0.75 PPARG (0.37) MAP4K1NPC1MAPT
SCHEMBL18764871 0.73 ALDH1A1 (0.48) SMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3640575 0.72 DGAT1 (0.31) SMN1; SMN2
SCHEMBL23497845 0.70 MAP4K1 (0.38) MAP4K1NPC1MAPT
SCHEMBL4061092 0.69 MEN1 (0.54) SMN1; SMN2NPC1MAPTALDH1A1

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 SMN1; SMN2 4291/4885MAP4K1 661/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885MAP4K1 661/4885NPC1 794/4885

“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.