SCHEMBL1611226

SCHEMBL1611226

FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Cl)nc2)=NO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.32
PIK3CD O00329 1/20 0.31
TRPA1 O75762 1/20 0.31
NOTUM Q6P988 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CYP2A6 P11509 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
SCHEMBL3358580 0.89 RECQL (0.32) RECQLPKM
SCHEMBL16274185 0.86 RECQL (0.43) NPC1RAB9ARECQLPKMNOTUM
SCHEMBL12449485 0.84 MAP4K4 (0.38) RECQLKDM4E
SCHEMBL1611209 0.84 HTT (0.41) NPC1RAB9ARECQLPKMKDM4E
SCHEMBL1856068 0.83 RECQL (0.30) RECQL
SCHEMBL3123277 0.82 HTT (0.43) NPC1RAB9ARECQLPKMKDM4E
SCHEMBL28971266 0.82 RECQL (0.36) RECQLPKMKDM4EMAPT
SCHEMBL588568 0.82 RECQL (0.36) NPC1RAB9ARECQLPKM
SCHEMBL1611047 0.82 RECQL (0.36) RECQLPKM
SCHEMBL3695100 0.82 RECQL (0.44) NPC1RAB9ARECQLPKMKDM4E

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
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
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS NPC1 813/4885RAB9A 1157/4885RECQL 1874/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA NPC1 781/4885RAB9A 1341/4885RECQL 2673/4885

“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.