SCHEMBL7217566

SCHEMBL7217566

CCNC(=O)c1sc(C)c(C)c1[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 4/20 0.38
CHRM4 P08173 1/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MKNK2 Q9HBH9 3/20 0.33
TSHR P16473 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7217363 0.73 TSHR (0.41) HPGDNPC1ALDH1A1HSD17B10CHRM4
Dimethylamine SCHEMBL9526570 0.71 CHRM4 (0.44) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8328519 0.71 PTGS2 (0.47) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7217607 0.71 ALDH1A1 (0.53) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13754002 0.70 NPC1 (0.59) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
Diethylamine SCHEMBL9525434 0.70 CHRM4 (0.41) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7218048 0.69 HPGD (0.43) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4079731 0.66 HPGD (0.40) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7217173 0.65 NPC1 (0.45) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7218148 0.65 HPGD (0.40) HPGDNPC1ALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN claimed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US claimed
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
CN-1636457-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2005-07-13 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
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-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
CN-1043835-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-06-30 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
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 HPGD 4230/4885NPC1 294/4885ALDH1A1 3549/4885

“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.