SCHEMBL1864017

SCHEMBL1864017

C[Si](C)(C)CCNN(CCCC1CCCO1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 6/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1859509 0.96 LMNA (0.40) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL1863287 0.72 KMT2A (0.31) LMNASMN1; SMN2TP53KMT2A
SCHEMBL1859647 0.72 KMT2A (0.31) LMNASMN1; SMN2TP53KMT2A
SCHEMBL3590448 0.71 LMNA (0.41) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL3585506 0.67 LMNA (0.37) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL6450378 0.66 LMNA (0.53) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL14473109 0.66 SMN1; SMN2 (0.47) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL10878763 0.65 ALDH1A1 (0.56) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL2481405 0.65 ALDH1A1 (0.56) LMNASMN1; SMN2USP2HPGDTP53
SCHEMBL3350492 0.64 LMNA (0.51) LMNASMN1; SMN2USP2HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE LMNA 4104/4885SMN1; SMN2 1477/4885USP2 692/4885

“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.