SCHEMBL5735982

SCHEMBL5735982

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
ADRA1A P35348 1/20 0.37
FFAR2 O15552 1/20 0.36
MGLL Q99685 1/20 0.34
ACLY P53396 1/20 0.33
MAPT P10636 5/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP3 P42574 2/20 0.32
SENP7 Q9BQF6 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 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
SCHEMBL5735580 0.93 ACLY (0.39) MAOAADRA1AFFAR2ACLYMAPT
SCHEMBL7994515 0.85 ACLY (0.41) MAOAADRA1AFFAR2ACLYMAPT
SCHEMBL3153668 0.83 MAOA (0.37) MAOAADRA1AFFAR2MAPTNPC1
SCHEMBL6790401 0.83 ACLY (0.39) MAOAADRA1AFFAR2ACLYMAPT
SCHEMBL8001808 0.82 GAA (0.42) MAPTTP53GAATHRB
SCHEMBL6614261 0.78 MAPT (0.47) MAOAADRA1AMAPTNPC1ALDH1A1
SCHEMBL5736818 0.76 ACLY (0.39) ACLYNPC1RAB9AKDM4EGAA
SCHEMBL5735113 0.74 GAA (0.43) ACLYMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1599472 0.74 ACLY (0.40) ACLYMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5734992 0.73 GAA (0.34) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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 7 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
WO-2001055139-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 MAOA 2339/4885ADRA1A 370/4885FFAR2 867/4885

“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.