SCHEMBL6430433

SCHEMBL6430433

C[Si](C)(C)c1cccc(Cl)c1C(=O)Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 1/20 0.41
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
CYP3A4 P08684 1/20 0.39
JAK1 P23458 1/20 0.39
TSHR P16473 2/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
DOT1L Q8TEK3 1/20 0.36
P2RX7 Q99572 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 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
SCHEMBL6428445 0.85 ALDH1A1 (0.47) ALDH1A1RAB9ATSHRFEN1LMNA
SCHEMBL7219663 0.83 ALDH1A1 (0.45) ALDH1A1RAB9ATYK2JAK2CYP3A4
SCHEMBL7218124 0.83 TSHR (0.51) ALDH1A1RAB9ATYK2JAK2CYP3A4
SCHEMBL6429960 0.80 POLB (0.52) ALDH1A1RAB9ATSHRLMNAGAA
SCHEMBL6428937 0.80 DOT1L (0.50) ALDH1A1RAB9ATYK2JAK2CYP3A4
SCHEMBL7739128 0.79 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL27521668 0.79 ALDH1A1 (0.41) ALDH1A1RAB9ATYK2JAK2CYP3A4
SCHEMBL103586 0.79 ALDH1A1 (1.00) ALDH1A1TYK2JAK2CYP3A4JAK1
SCHEMBL7219666 0.77 ALDH1A1 (0.38) ALDH1A1RAB9ATYK2JAK2CYP3A4
SCHEMBL27343684 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRGAAKDM4E

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415750-C Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2008-09-03 CN disclosed
CN-1772749-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2006-05-17 CN disclosed
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN disclosed
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 US disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1561326-A Alpha-haloenamine reagents PHARMACIA CORP (US) 2005-01-05 CN disclosed
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 US disclosed
CN-1221746-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP 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-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH ALDH1A1 373/4885RAB9A 1514/4885TYK2 3325/4885

“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.