SCHEMBL5735580

SCHEMBL5735580

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
MAOA P21397 1/20 0.38
ADRA1A P35348 1/20 0.38
FFAR2 O15552 1/20 0.37
MAPT P10636 7/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 1/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 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
SCHEMBL5735982 0.93 MAOA (0.37) ACLYMAOAADRA1AFFAR2MAPT
SCHEMBL7994515 0.90 ACLY (0.41) ACLYMAOAADRA1AFFAR2MAPT
SCHEMBL6790401 0.90 ACLY (0.39) ACLYMAOAADRA1AFFAR2MAPT
SCHEMBL5735113 0.81 GAA (0.43) ACLYMAPTTP53POLBALDH1A1
SCHEMBL1599472 0.81 ACLY (0.40) ACLYMAPTNPC1GAATSHR
SCHEMBL3153668 0.81 MAOA (0.37) MAOAADRA1AFFAR2MAPTCASP3
SCHEMBL5736818 0.80 ACLY (0.39) ACLYNPC1GAARAB9A
SCHEMBL7995977 0.80 ACLY (0.39) ACLYMAPTTP53POLBNPC1
SCHEMBL6614261 0.79 MAPT (0.47) MAOAADRA1AMAPTTP53NPC1
SCHEMBL7995986 0.79 MAPT (0.43) MAPTTP53ALDH1A1THRBHPGD

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 2189/4885MAOA 2339/4885ADRA1A 370/4885

“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.