SCHEMBL5334814

SCHEMBL5334814

COc1cc(Br)ccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 1/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
ERBB4 Q15303 1/20 0.37
HTT P42858 1/20 0.37
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL30311455 0.84 TUBB4A (0.40) TSHRNQO2KDM4EALDH1A1KMT2A
SCHEMBL6257872 0.82 NPC1 (0.36) NPC1TSHRRAB9ALMNAHTT
SCHEMBL4709625 0.82 MAPT (0.46) TSHRGAALMNAHTTNQO2
SCHEMBL26507116 0.82 NR3C2 (0.40) KDM4EKMT2AMEN1SMN1; SMN2SLC6A2
SCHEMBL6257880 0.82 NQO2 (0.34) NPC1TSHRRAB9AGAALMNA
SCHEMBL30108108 0.82 NR3C2 (0.40) KDM4EKMT2AMEN1SMN1; SMN2SLC6A2
SCHEMBL14590779 0.81 NPC1 (0.47) NPC1TSHRRAB9AGAAMGAM
SCHEMBL5331625 0.79 ENPP2 (0.36) NPC1RAB9ANQO2CYP1A2KDR
SCHEMBL31737879 0.79 ENPP2 (0.36) NPC1RAB9ANQO2CYP1A2KDR
SCHEMBL4709275 0.78 HTT (0.49) NPC1RAB9AGAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166746-B2 N-bisaryl- and n-aryl-cycloakylidenyl-αhydroxy-and α-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. (US) 2007-01-23 US disclosed
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1534664-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES Syngenta Participations AG (CH) 2005-06-01 EP disclosed
US-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides SYNGENTA CROP PROTECTION, INC. 2004-10-28 US disclosed
EP-1399418-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2004-03-24 EP disclosed
WO-2004011417-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-05 WO disclosed
WO-2003002525-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-01-09 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 (2 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-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides ARSA, SFN, HCCS NPC1 2870/4885TSHR 446/4885RAB9A 776/4885
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 NPC1 733/4885TSHR 2374/4885RAB9A 941/4885

“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.