SCHEMBL551537

SCHEMBL551537

CC(C)/N=C1/OC(=O)c2cccc(I)c21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
TYMS P04818 3/20 0.35
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2161542 1.00 IDO1 (0.36) IDO1TYMSALOX15TDP1
SCHEMBL551538 1.00 IDO1 (0.36) IDO1TYMSALOX15TDP1
SCHEMBL1186741 0.83 TYMS (0.30) TYMS
SCHEMBL550456 0.83 TYMS (0.30) TYMS
SCHEMBL4196507 0.83 TYMS (0.30) TYMS
SCHEMBL550455 0.83 TYMS (0.30) TYMS
SCHEMBL550457 0.83 TYMS (0.30) TYMS
SCHEMBL2161325 0.83 TYMS (0.30) TYMS
SCHEMBL2161217 0.83 TYMS (0.30) TYMS
SCHEMBL551556 0.81 CA1 (0.37) IDO1TYMSALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 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 (4 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 IDO1 1794/4885TYMS 4375/4885ALOX15 2218/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 IDO1 632/4885TYMS 3137/4885ALOX15 1853/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 IDO1 1801/4885TYMS 4877/4885ALOX15 3530/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT IDO1 296/4885TYMS 460/4885ALOX15 4388/4885

“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.