SCHEMBL1610992

SCHEMBL1610992

Fc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
BACE1 P56817 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ICMT O60725 1/20 0.33
PGR P06401 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC6A4 P31645 1/20 0.32
MCHR1 Q99705 1/20 0.32
OPRL1 P41146 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL1612165 0.90 GABRP (0.35) BACE1KDM4EMAPTPGRSLC6A4
SCHEMBL1610595 0.88 KDM1A (0.36) KDM1ABACE1CA1CA2SLC6A4
SCHEMBL1611568 0.87 KDM1A (0.34) KDM1ABACE1CA1CA2SLC6A4
SCHEMBL1609341 0.85 NPY5R (0.40) KDM1ABACE1KDM4EMAPTPGR
SCHEMBL1611793 0.84 TEAD1 (0.35) KDM1ABACE1KDM4EPGRHDAC6
SCHEMBL1610490 0.84 NISCH (0.37) BACE1KDM4EMAPTPGRCA1
SCHEMBL1611211 0.82 KDM1A (0.40) KDM1ABACE1MAPTSLC6A4HDAC6
SCHEMBL3110578 0.82 NLRP3 (0.39) KDM1AMAPTSLC6A4
SCHEMBL27791817 0.80 SLC6A4 (0.41) KDM1ABACE1SLC6A4OPRL1
SCHEMBL1610621 0.80 KDM1A (0.36) KDM1ABACE1CA1CA2SLC6A4

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
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
CN-102731403-A Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-10-17 CN disclosed
CN-101522672-B Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS KDM1A 699/4885BACE1 2820/4885KDM4E 1969/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM1A 133/4885BACE1 4066/4885KDM4E 583/4885

“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.