SCHEMBL5736818

SCHEMBL5736818

Cc1nsc(NC(=O)C(C)(F)c2ccc3oc(CC(C)(C)C)nc3c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
AGPAT2 O15120 2/20 0.35
PTGES O14684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 2/20 0.33
PPARG P37231 1/20 0.33
AKR1B1 P15121 1/20 0.32
P2RY14 Q15391 2/20 0.32
AHR P35869 1/20 0.31
GAA P10253 1/20 0.31
BUB1 O43683 1/20 0.31
FBP1 P09467 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
SCHEMBL1599472 0.81 ACLY (0.40) ACLYMEN1NPC1RAB9AKMT2A
SCHEMBL5735113 0.81 GAA (0.43) ACLYKDM4EPPARGP2RY14GAA
SCHEMBL7994515 0.81 ACLY (0.41) ACLYKDM4EMEN1NPC1RAB9A
SCHEMBL7995977 0.80 ACLY (0.39) ACLYAGPAT2MEN1NPC1RAB9A
SCHEMBL5735580 0.80 ACLY (0.39) ACLYNPC1RAB9AGAA
SCHEMBL7995986 0.79 MAPT (0.43) KDM4ECETPPPARG
SCHEMBL6790401 0.79 ACLY (0.39) ACLYMEN1NPC1RAB9AKMT2A
SCHEMBL6790398 0.78 GAA (0.50) ACLYKDM4EP2RY14GAA
SCHEMBL8001808 0.78 GAA (0.42) P2RY14GAA
SCHEMBL5735982 0.76 MAOA (0.37) ACLYKDM4ENPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
US-20030207926-A1 Isothiazole derivatives and their use as pesticides SYNGENTA LIMITED (GB) 2003-11-06 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 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 (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-20030207926-A1 Isothiazole derivatives and their use as pesticides CBR1, CBR3, CYP1B1 ACLY 2189/4885AGPAT2 1916/4885PTGES 3295/4885

“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.