SCHEMBL3118499

SCHEMBL3118499

CC(=O)NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
SETDB1 Q15047 1/20 0.34
P2RX7 Q99572 5/20 0.33
F10 P00742 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 1/20 0.33
SCN2A Q99250 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
BTK Q06187 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
SCHEMBL14867208 0.91 P2RX7 (0.36) CA1CA2POLBP2RX7MAPT
SCHEMBL14234758 0.90 F10 (0.35) CA1CA2POLBSETDB1P2RX7
SCHEMBL12069085 0.89 PTGES (0.36) CA1CA2POLBP2RX7
SCHEMBL12069084 0.89 BTK (0.37) P2RX7BTK
SCHEMBL12070340 0.89 MIF (0.36) CA1CA2P2RX7MAPTBTK
SCHEMBL12070343 0.89 P2RX7 (0.35) CA1CA2POLBP2RX7MAPT
SCHEMBL12069099 0.88 SMN1; SMN2 (0.34) CA1CA2P2RX7
SCHEMBL12070339 0.88 EPHX2 (0.36) P2RX7BTK
SCHEMBL3123196 0.88 PTGS2 (0.33) CA1CA2POLBSETDB1F10
SCHEMBL12070342 0.87 TP53 (0.35) CA1CA2P2RX7MAPTBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023836-B2 Use of substituted heterocyclic compounds to control sea lice on fish NOVARTIS TIERGESUNDHEIT AG (CH) 2015-05-05 US disclosed
US-9023836-B2 Use of substituted heterocyclic compounds to control sea lice on fish NOVARTIS TIERGESUNDHEIT AG (CH) 2015-05-05 US disclosed
CN-101652354-B Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG 2014-06-18 CN disclosed
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH NOVARTIS TIERGESUNDHEIT AG (CH) 2013-04-18 US disclosed
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH NOVARTIS TIERGESUNDHEIT AG (CH) 2013-04-18 US disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
WO-2011157733-A2 NEW USE NOVARTIS AG (CH) 2011-12-22 WO disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 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 1990/4885POLB 4597/4885
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH TYR, NISCH, GYPA CA1 311/4885CA2 31/4885POLB 4285/4885

“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.