SCHEMBL4424847

SCHEMBL4424847

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CCR9 P51686 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
TLR9 Q9NR96 1/20 0.46
SCN2A Q99250 2/20 0.45
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.44
S100A4 P26447 2/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL11402428 0.86 KDM4E (0.61) KDM4ECA2CA9CA12CA1
SCHEMBL4432198 0.81 HSPA1A (0.61) KDM4ECCR9KMT2ANPC1MAPT
SCHEMBL5151001 0.80 KDM4E (0.71) KDM4ECA2CA9CA12CA1
SCHEMBL31259847 0.80 KDM4E (0.71) KDM4ECA2CA9CA12CA1
SCHEMBL3376342 0.80 CCR9 (0.47) KDM4ECYP1A2CYP2C9CYP2C19CCR9
SCHEMBL4419914 0.80 CCR9 (0.47) KDM4ECYP1A2CYP2C9CYP2C19CCR9
SCHEMBL11309121 0.79 KDM4E (0.62) KDM4ECA2CA9CA12CA1
SCHEMBL11308425 0.79 KDM4E (0.62) KDM4ECA2CA9CA12CA1
SCHEMBL4409822 0.79 KDM4E (0.58) KDM4ECA2CA9CA12CA1
SCHEMBL29168850 0.78 KMT2A (0.57) KDM4ECA2CA9CA12CA1

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 KDM4E 2453/4885CA2 460/4885CA9 1140/4885
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 KDM4E 2584/4885CA2 339/4885CA9 940/4885

“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.