SCHEMBL1303776

SCHEMBL1303776

O=C(NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.35
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
P2RX7 Q99572 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL12069084 0.90 BTK (0.37) EPHX2P2RX7GAACYP2D6PKM
SCHEMBL15803905 0.90 EPHX2 (0.38) EPHX2ALDH1A1CHRM1CHRM3P2RX7
SCHEMBL1862194 0.87 HDAC1 (0.42) ALDH1A1GAALMNAPOLBNPSR1
SCHEMBL12070339 0.86 EPHX2 (0.36) EPHX2P2RX7GAAHDAC1HDAC8
SCHEMBL14234006 0.86 EPHX2 (0.37) EPHX2ALDH1A1P2RX7GAALMNA
SCHEMBL14233826 0.86 BIRC5 (0.38) EPHX2ALDH1A1P2RX7GAALMNA
SCHEMBL15741568 0.86 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL3116691 0.85 CA1 (0.32) CA1CA2
SCHEMBL15741517 0.84 GFER (0.34) ALDH1A1CA1CA2
SCHEMBL2524299 0.83 MTOR (0.37) EPHX2ALDH1A1CHRM1CHRM3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053452-B2 Substituted isoxazoline or enone oxime compound, and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-10 US disclosed
EP-2172448-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-04-07 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 (1 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-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT MLYCD, MT-CO2, TRHDE EPHX2 1230/4885ALDH1A1 2761/4885CHRM1 317/4885

“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.