SCHEMBL3821084

SCHEMBL3821084

CC[Si](CC)(CC)c1cc2ncccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.50
DAO P14920 1/20 0.46
HRH4 Q9H3N8 1/20 0.43
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
CNR2 P34972 1/20 0.37
DDAH1 O94760 1/20 0.36
DRD3 P35462 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
RBP4 P02753 1/20 0.34
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
MTOR P42345 1/20 0.33
METAP2 P50579 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
SCHEMBL12677225 0.75 ATAD2 (0.53) ATAD2DAOHRH4MAPTSNCA
SCHEMBL19557306 0.73 ALDH1A1 (0.47) DAOHRH4MAPTALDH1A1KDM4E
SCHEMBL29997480 0.72 ATAD2 (0.62) ATAD2DAOHRH4MAPTSNCA
SCHEMBL4641753 0.72 ATAD2 (0.62) ATAD2DAOHRH4MAPTSNCA
SCHEMBL24390514 0.71 ATAD2 (0.66) ATAD2DAOHRH4MAPTSNCA
SCHEMBL23453014 0.70 ATAD2 (0.47) ATAD2DAOHRH4MAPTSNCA
SCHEMBL5790265 0.68 DAO (0.53) ATAD2DAOHRH4MAPTSNCA
SCHEMBL12615150 0.68 DAO (0.53) ATAD2DAOHRH4MAPTSNCA
SCHEMBL25248466 0.68 DAO (0.53) ATAD2DAOHRH4MAPTSNCA
SCHEMBL4420086 0.68 DAO (0.53) ATAD2DAOHRH4MAPTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242983-B2 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-26 US disclosed
EP-2094702-B1 VIRAL INHIBITORS GILEAD SCIENCES INC (US) 2015-09-02 EP disclosed
US-20140221382-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-8722677-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-05-13 US disclosed
US-20120258969-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2012-10-11 US disclosed
US-8263612-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2012-09-11 US disclosed
EP-2094702-A2 VIRAL INHIBITORS Gilead Sciences, Inc. (US) 2009-09-02 EP disclosed
WO-2008133669-A2 VIRAL INHIBITORS GILEAD SCIENCES, INC. (US) 2008-11-06 WO disclosed
US-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine GILEAD SCIENCES, INC. 2008-08-28 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 (3 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-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine PNPO, PRDX6, PRDX4 ATAD2 3689/4885DAO 1135/4885HRH4 706/4885
US-20140221382-A1 VIRAL INHIBITORS ZC3HAV1, DDX5, ZC3HAV1L ATAD2 2374/4885DAO 1353/4885HRH4 1932/4885
US-20120258969-A1 VIRAL INHIBITORS ZC3HAV1, DDX5, ZC3HAV1L ATAD2 2374/4885DAO 1353/4885HRH4 1932/4885

“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.