SCHEMBL1609340

SCHEMBL1609340

Nc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.34
PKM P14618 1/20 0.33
ESR2 Q92731 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
F10 P00742 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL472320 0.91 PDE3B (0.39) TSHRRECQLPKMF10PDE3B
SCHEMBL1609805 0.88 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL740175 0.88 TDP1 (0.36) CYP3A4TSHRALDH1A1RECQLPKM
SCHEMBL1612058 0.88 CA1 (0.33) RECQLPKMCA1CA2F10
SCHEMBL29530772 0.88 TDP1 (0.36) CYP3A4TSHRALDH1A1RECQLPKM
SCHEMBL1547527 0.88 PDE3B (0.38) RECQLPKMESR2CA1CA2
SCHEMBL1610490 0.88 NISCH (0.37) RECQLPKMCA1CA2KDM4E
SCHEMBL1611047 0.86 RECQL (0.36) RECQLPKMPDE3BPDE3A
SCHEMBL3068888 0.86 CA1 (0.31) RECQLPKMCA1CA2F10
SCHEMBL472735 0.86 PDE3B (0.38) CYP3A4RECQLPKMCA1CA2

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 CYP3A4 782/4885TSHR 1735/4885ALDH1A1 683/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA CYP3A4 1187/4885TSHR 2067/4885ALDH1A1 691/4885

“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.