SCHEMBL1858890

SCHEMBL1858890

CC(=O)OCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
PYGL P06737 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CNR2 P34972 1/20 0.31
POLB P06746 1/20 0.31
ENPP2 Q13822 1/20 0.30
ATXN2 Q99700 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL738385 0.92 NOTUM (0.36) NOTUMPYGLCA1CA2TDP1
SCHEMBL3457366 0.90 NOTUM (0.37) NOTUMPYGLCA1CA2
SCHEMBL14956129 0.89 NOTUM (0.36) NOTUMPYGLCA1CA2
SCHEMBL13692112 0.89 NOTUM (0.36) NOTUMPYGLCA1CA2IDO1
SCHEMBL1466955 0.88 NOTUM (0.34) NOTUMPYGLCA1CA2
SCHEMBL1467143 0.88 NOTUM (0.37) NOTUMPYGLCA1CA2GAA
SCHEMBL1466563 0.87 NOTUM (0.34) NOTUMPYGLCA1CA2L3MBTL1
SCHEMBL14956152 0.84 NOTUM (0.33) NOTUMPYGLCA1CA2
SCHEMBL1860377 0.84 PDK2 (0.32) PYGLCA1CA2
SCHEMBL27957806 0.84 NOTUM (0.33) NOTUMPYGLCA1CA2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 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 (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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 NOTUM 854/4885PYGL 4734/4885CA1 200/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 NOTUM 914/4885PYGL 4631/4885CA1 208/4885

“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.