SCHEMBL1860595

SCHEMBL1860595

O=C(NCc1ccc(/C=N\O)cc1Cl)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 6/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1860596 1.00 CYP2D6 (0.47) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1865276 0.85 CYP2D6 (0.50) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1860189 0.80 PKM (0.42) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1860192 0.80 PKM (0.42) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1860190 0.77 CA12 (0.47) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1859048 0.77 CYP2D6 (0.52) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL1867206 0.77 EPHX2 (0.53) CYP2D6PKMCYP2C19EPHX2MEN1
SCHEMBL2467120 0.74 NPC1 (0.66) PKMEPHX2MEN1KMT2AP2RX7
SCHEMBL2677882 0.74 EPHX2 (0.59) EPHX2P2RX7GAAHTTCA12
SCHEMBL2677880 0.74 EPHX2 (0.59) EPHX2P2RX7GAAHTTCA12

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 CYP2D6 1168/4885PKM 4739/4885CYP2C19 800/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 CYP2D6 917/4885PKM 4737/4885CYP2C19 525/4885

“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.