SCHEMBL4423725

SCHEMBL4423725

CC(C)NC(=O)c1c(Br)cccc1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
EPHX2 P34913 1/20 0.50
ABL1 P00519 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AHR P35869 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL4425763 0.95 ALDH1A1 (0.49) ALDH1A1HPGDEPHX2ABL1TDP1
SCHEMBL1499598 0.81 SMN1; SMN2 (0.68) ALDH1A1EPHX2ABL1TDP1MEN1
SCHEMBL15392837 0.81 ABL1 (0.63) EPHX2ABL1TDP1MEN1KMT2A
SCHEMBL12377315 0.77 EPHX2 (0.73) ALDH1A1HPGDEPHX2KMT2ATRPV1
SCHEMBL1496356 0.74 TRPV1 (0.59) EPHX2ABL1TDP1TRPV1SMN1; SMN2
SCHEMBL12225782 0.74 NPC1 (0.69) ALDH1A1HPGDEPHX2TDP1MEN1
SCHEMBL1346717 0.74 EPHX2 (0.58) ALDH1A1EPHX2TDP1MEN1KMT2A
SCHEMBL551896 0.73 ALDH1A1 (0.47) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL8406641 0.72 PNLIP (0.67) HPGDEPHX2TDP1MEN1KMT2A
SCHEMBL6683080 0.72 TDP1 (0.56) ALDH1A1EPHX2ABL1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362369-B1 None US disclosed
EP-1700844-B1 Phthalic acid diamide derivatives, agricultural and horticultural insecticides and a method for application of the insecticides NIHON NOHYAKU CO LTD (JP) 2009-01-14 EP disclosed
EP-1700844-A1 Phthalic acid diamide derivatives, agricultural and horticultural insecticides and a method for application of the insecticides Nihon Nohyaku Co., Ltd. (JP) 2006-09-13 EP disclosed
EP-0919542-B1 Phthalic acid diamide derivatives, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO LTD (JP) 2006-08-23 EP disclosed
EP-1447396-A1 Phthalic acid diamide derivatives, agriculture and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 2004-08-18 EP disclosed
US-6559341-B2 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 2003-05-06 US disclosed
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides AIR MOTION TECHNOLOGIES, LLC 2003-03-20 US disclosed
US-6362369-B2 CONTROLLING INSECTS IN CROPS NIHON NOHYAKU CO., LTD. (JP) 2002-03-26 US disclosed
US-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 2001-11-15 US disclosed
EP-0919542-A2 Phthalic acid diamide derivatives, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 1999-06-02 EP 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 (2 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-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES DDT, AFF1, BCL2L2 ALDH1A1 252/4885HPGD 3918/4885EPHX2 1936/4885
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides DDT, BCL2A1, BCL2L2 ALDH1A1 269/4885HPGD 3799/4885EPHX2 1940/4885

“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.