SCHEMBL3978876

SCHEMBL3978876

COC(=O)Cn1cncc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.32
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ACACB O00763 1/20 0.31
GAA P10253 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
SCHEMBL4489945 0.77 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2KMT2ARAB9A
SCHEMBL25311885 0.77 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2KMT2ARAB9A
SCHEMBL14416081 0.73 DUT (0.36)
SCHEMBL26926586 0.73 LMNA (0.36) SMN1; SMN2KMT2ABACE1RAB9AALDH1A1
SCHEMBL2647124 0.72 CHRM5 (0.37) KMT2ATP53
SCHEMBL13160969 0.72 CYP11B1 (0.50) CYP11B1CYP11B2
SCHEMBL480923 0.71 GAA (0.35) SMN1; SMN2BACE1RAB9AALDH1A1NPC1
SCHEMBL3275833 0.70 CYP11B1 (0.43) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL13160967 0.69 MAPK1 (0.41) CYP11B1CYP11B2KMT2ABACE1ALDH1A1
SCHEMBL26926848 0.69 LMNA (0.41) SMN1; SMN2KMT2ABACE1RAB9AALDH1A1

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-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
EP-2057163-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008027284-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE NOVARTIS AG (CH) 2008-03-06 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-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 CYP11B1 2/4885CYP11B2 11/4885SMN1; SMN2 4550/4885

“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.