SCHEMBL1609805

SCHEMBL1609805

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
ESR2 Q92731 1/20 0.31
F10 P00742 1/20 0.31
LMNA P02545 1/20 0.30
PTBP1 P26599 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL1610595 0.90 KDM1A (0.36) ALDH1A1CYP3A4TSHRMAPK1F10
SCHEMBL1609340 0.88 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRMAPK1PDE3B
SCHEMBL1612165 0.87 GABRP (0.35) PDE3BPDE3AGABRA2GABRB2
SCHEMBL3362297 0.86 PDE3B (0.34) PDE3BPDE3ALMNAPTBP1
SCHEMBL1611558 0.86 PDE3B (0.32) PDE3BPDE3A
SCHEMBL980527 0.86 PDE3B (0.31) PDE3BPDE3A
SCHEMBL1609844 0.84 KIF11 (0.38) PDE3BPDE3A
SCHEMBL1610695 0.81 HTT (0.39) PDE3BPDE3A
SCHEMBL981028 0.81 PDE3B (0.32) PDE3BPDE3A
SCHEMBL980720 0.80 PDE2A (0.33)

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

“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.