SCHEMBL7217634

SCHEMBL7217634

CCN(CC)C(=O)c1cccc(Cl)c1[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.47
KEAP1 Q14145 1/20 0.46
TP53 P04637 3/20 0.44
TSHR P16473 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL7224263 0.83 TSHR (0.51) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL7852399 0.81 KEAP1 (0.46) KEAP1TP53TSHRALDH1A1MAPT
SCHEMBL4482255 0.80 SLC6A2 (0.53) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL143826 0.80 TP53 (0.65) KEAP1TP53TSHRHSP90AA1HSP90AB1
SCHEMBL10013773 0.79 GHSR (0.46) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL3442604 0.79 KEAP1 (0.49) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL3312574 0.79 KEAP1 (0.49) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL10348463 0.76 TSHR (0.57) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL3558867 0.75 TSHR (0.47) GHSRKEAP1TP53TSHRHSP90AA1
SCHEMBL7856726 0.75 GHSR (0.42) GHSRTP53TSHRHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
US-6252078-B1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-06-26 US disclosed
US-6248894-B1 SUBSTITUTED PYRROLES MONSANTO COMPANY 2001-06-19 US disclosed
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed
US-6166057-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-12-26 US disclosed
US-6133252-A THIOPHENE AND N-BONDED HETEROCYCLIC COMPOUND CHOSEN FROM THE GROUP CONSISTING OF MORPHOLINE, PIPERAZINE, PIPERIDINE, AND PYRROLIDINE, EACH OPTIONALLY SUBSTITUTED WITH C1-C6 ALKYL GROUPS MONSANTO COMPANY (US) 2000-10-17 US disclosed
US-6028101-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-02-22 US disclosed
US-RE36562-E CARBOXAMIDE-SUBSTITUTED THIOPHENES MONSANTO COMPANY (US) 2000-02-08 US disclosed
US-5998466-A PREPLANTING MONSANTO COMPANY (US) 1999-12-07 US 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
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-20010046975-A1 Fungicides for the control of take-all disease of plants CNPY3, NAT1, CBR3 GHSR 1308/4885KEAP1 980/4885TP53 3938/4885

“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.