SCHEMBL7217680

SCHEMBL7217680

C[Si](C)(C)c1cc(Br)cc(Cl)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 2/20 0.35
WDR5 P61964 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
DPP4 P27487 1/20 0.33
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NMT1 P30419 1/20 0.32
DAO P14920 1/20 0.32
POLB P06746 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL27338725 0.84 POLB (0.39) ALDH1A1HSD17B10AKR1B1NMT1POLB
SCHEMBL5781652 0.80 DPP4 (0.43) ALDH1A1MAPK1SMN1; SMN2DHODHWDR5
SCHEMBL1104465 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2DHODHWDR5
SCHEMBL4517539 0.73 AKR1C3 (0.48) ALDH1A1SMN1; SMN2WDR5HSD17B10KDM4E
SCHEMBL20563080 0.73 PTPN1 (0.35) ALDH1A1MAPK1SMN1; SMN2DHODHWDR5
SCHEMBL30975626 0.72 WDR5 (0.40) ALDH1A1SMN1; SMN2WDR5DPP4KMT2A
SCHEMBL7781021 0.72 KDM4E (0.41) ALDH1A1MAPK1SMN1; SMN2WDR5HSD17B10
SCHEMBL516744 0.72 WDR5 (0.40) ALDH1A1SMN1; SMN2WDR5DPP4KMT2A
SCHEMBL31057404 0.72 KDM4E (0.41) ALDH1A1MAPK1SMN1; SMN2WDR5HSD17B10
SCHEMBL20505571 0.71 PTPRC (0.35) ALDH1A1MAPK1SMN1; SMN2DHODHWDR5

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 19 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-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
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 ALDH1A1 3549/4885MAPK1 4771/4885SMN1; SMN2 2340/4885

“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.