SCHEMBL1835277

SCHEMBL1835277

Cc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)ccc1N1C(=O)c2cccc(I)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.39
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 7/20 0.33
GRM4 Q14833 6/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
HSP90AA1 P07900 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
SCHEMBL1835455 0.90 GRM1 (0.42) GRIA2GRM1GRM4
SCHEMBL1846700 0.89 GRM1 (0.42) GRIA2LMNASMN1; SMN2GRM1GRM4
SCHEMBL2161154 0.89 GRIA2 (0.39) GRIA2LMNASMN1; SMN2GRM1GRM4
SCHEMBL1848131 0.88 GRIA2 (0.43) GRIA2GRM1GRM4HDAC3HDAC4
SCHEMBL5716940 0.88 GRIA2 (0.40) GRIA2
SCHEMBL1832553 0.87 GRIA2 (0.40) GRIA2LMNASMN1; SMN2GRM1GRM4
SCHEMBL2889814 0.86 LMNA (0.33) LMNASMN1; SMN2GRM1GRM4
SCHEMBL2891892 0.84 GRIA2 (0.39) GRIA2LMNASMN1; SMN2GRM1GRM4
SCHEMBL1849927 0.83 LMNA (0.34) LMNASMN1; SMN2GRM1GRM4HSP90AA1
SCHEMBL2889412 0.82 TP53 (0.41) LMNASMN1; SMN2GRM1GRM4

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
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP 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-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 GRIA2 4434/4885LMNA 1336/4885SMN1; SMN2 1140/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT GRIA2 4212/4885LMNA 1631/4885SMN1; SMN2 840/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 GRIA2 3485/4885LMNA 1928/4885SMN1; SMN2 3421/4885

“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.