SCHEMBL1834334

SCHEMBL1834334

Cc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPC3 Q13507 3/20 0.49
TP53 P04637 2/20 0.46
ORAI1 Q96D31 3/20 0.44
TRPC5 Q9UL62 1/20 0.44
PTGS2 P35354 5/20 0.41
PTGS1 P23219 3/20 0.41
MAPT P10636 3/20 0.40
PTGES O14684 2/20 0.40
RAD52 P43351 1/20 0.40
TRPC1 P48995 1/20 0.40
STIM1 Q13586 1/20 0.40
PDPK1 O15530 2/20 0.40
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
PDE5A O76074 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2889812 0.90 KDM4E (0.42) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL2892026 0.87 ALDH1A1 (0.49) KDM4EL3MBTL1TRPC3PTGS2PTGS1
SCHEMBL2892005 0.87 STIM1 (0.44) KDM4EL3MBTL1ORAI1PTGS2PTGS1
SCHEMBL14198876 0.80 TRPC3 (0.69) TRPC3TP53ORAI1TRPC5PTGS2
SCHEMBL3277337 0.80 PTGS2 (0.55) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL1831803 0.77 TRPC3 (0.50) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL19692382 0.76 PTGS2 (0.53) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL3279042 0.76 KDM4E (0.54) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL14198877 0.76 TRPC3 (0.51) KDM4EL3MBTL1TRPC3TP53ORAI1
SCHEMBL2161196 0.75 PRMT6 (0.49) KDM4EMAPTRAD52MEN1ALDH1A1

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
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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 KDM4E 1692/4885L3MBTL1 361/4885TRPC3 2181/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT KDM4E 560/4885L3MBTL1 518/4885TRPC3 1643/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 KDM4E 346/4885L3MBTL1 217/4885TRPC3 228/4885

“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.