SCHEMBL1304095

SCHEMBL1304095

Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 2/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL112187 0.91 CA1 (0.33) CA1CA2RECQLKDM4EMAPT
SCHEMBL20341708 0.90 CA1 (0.31) CA1CA2KDM4EMAPTHPGD
SCHEMBL1468064 0.90 RECQL (0.37) CA1CA2RECQLKDM4EMAPT
SCHEMBL1611478 0.88 CA1 (0.32) CA1CA2RECQLKDM4EMAPT
SCHEMBL1864604 0.88 RECQL (0.34) CA1CA2RECQLKDM4EMAPT
SCHEMBL739909 0.87 KDM4E (0.37) CA1CA2RECQLKDM4EMAPT
SCHEMBL23784647 0.86 PDE3B (0.44) CA1CA2RECQLKDM4EMAPT
SCHEMBL13859317 0.86 CA1 (0.31) CA1CA2RECQLPKMPDE3B
SCHEMBL1612058 0.86 CA1 (0.33) CA1CA2RECQLKDM4EMAPT
SCHEMBL740175 0.86 TDP1 (0.36) CA1CA2RECQLKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-8053452-B2 Substituted isoxazoline or enone oxime compound, and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 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-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
EP-2172448-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO 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-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 CA1 4328/4885CA2 1990/4885RECQL 2346/4885
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT MLYCD, MT-CO2, TRHDE CA1 4016/4885CA2 3566/4885RECQL 1253/4885

“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.