SCHEMBL5334810

SCHEMBL5334810

COc1cc(Br)ccc1OCC(C)(C)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR5 P51681 1/20 0.37
MAPK1 P28482 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
SCHEMBL4816613 0.81 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9482070 0.79 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6294536 0.76 MAOB (0.50) LMNAALDH1A1KDM4EKMT2AMAPT
SCHEMBL941193 0.76 GLA (0.42) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL1144143 0.75 MCHR1 (0.44) SMN1; SMN2KDM4ETDP1PTGDR2
SCHEMBL1447864 0.72 SLC6A4 (0.59) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30504080 0.72 SLC6A4 (0.59) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6449279 0.72 CCR5 (0.52) LMNAALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL23925228 0.71 TSHR (0.41) LMNASMN1; SMN2KDM4EGAAMAPT
SCHEMBL21493114 0.69 KDM5A (0.35) LMNAKDM4EMEN1KMT2AMAPT

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 LMNA 1330/4885ALDH1A1 1061/4885SMN1; SMN2 1279/4885
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 LMNA 1315/4885ALDH1A1 1049/4885SMN1; SMN2 4195/4885

“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.