SCHEMBL4706964

SCHEMBL4706964

C[Si](C)(C)CCOCOc1cccnc1C(O)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2C19 P33261 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
IGFBP3 P17936 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSA P10619 1/20 0.32
AOC3 Q16853 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPK8 P45983 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
SCHEMBL4705906 0.73 NPC1 (0.40) NPC1RAB9AMAPK8
SCHEMBL6042077 0.69 L3MBTL1 (0.36) L3MBTL1KDM4EMAPK1
SCHEMBL31437246 0.69 S1PR4 (0.44) NPC1RAB9ACYP2C19KDM4EMAPK1
SCHEMBL8710247 0.69 S1PR4 (0.44) NPC1RAB9ACYP2C19KDM4EMAPK1
SCHEMBL5251284 0.68 L3MBTL1 (0.43) L3MBTL1CYP2C19TDP1KDM4E
SCHEMBL4861034 0.67 PRKDC (0.31)
SCHEMBL27096306 0.67 ALDH1A1 (0.42) L3MBTL1CYP2C19TDP1ADRB2ADRB1
SCHEMBL34474008 0.67 TP53 (0.40) L3MBTL1NPC1RAB9ACYP2C19TDP1
SCHEMBL6042878 0.67 KDM4E (0.41) L3MBTL1NPC1KDM4EMAPK1
SCHEMBL9476261 0.66 PLCG1 (0.35) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ACHE 2779/4885L3MBTL1 3765/4885NPC1 563/4885

“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.