SCHEMBL2809327

SCHEMBL2809327

COC(=O)CCCN(C)CCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM5A P29375 3/20 0.42
LTA4H P09960 4/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DUT P33316 1/20 0.34
DNM1 Q05193 1/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
P2RY12 Q9H244 3/20 0.32
PDE2A O00408 1/20 0.31
GLA P06280 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL31399552 0.93 MEN1 (0.46) MEN1KMT2AKDM5ALTA4HTSHR
SCHEMBL839062 0.86 TSHR (0.48) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL25345807 0.85 LMNA (0.47) KMT2ATSHRALDH1A1LMNADUT
SCHEMBL1246160 0.85 LMNA (0.47) KMT2ATSHRALDH1A1LMNADUT
SCHEMBL11635954 0.85 TSHR (0.50) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL24614982 0.84 MEN1 (0.58) MEN1KMT2AKDM5ALTA4HTSHR
SCHEMBL26650890 0.81 LTA4H (0.40) KDM5ALTA4HDUTKDM4C
SCHEMBL20168030 0.78 TSHR (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL30420680 0.78 KDM4C (0.39) KDM5ALTA4HALDH1A1KDM4C
SCHEMBL14430424 0.78 MEN1 (0.71) MEN1KMT2AKDM5ALTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MEN1 4723/4885KMT2A 3834/4885KDM5A 3249/4885

“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.