SCHEMBL1611211

SCHEMBL1611211

Nc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
BACE1 P56817 4/20 0.37
SLC6A4 P31645 1/20 0.37
KIF11 P52732 1/20 0.36
CTSC P53634 1/20 0.35
MAOB P27338 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1609341 0.89 NPY5R (0.40) KDM1ATSHRMAPK1BACE1SLC6A4
SCHEMBL1609844 0.89 KIF11 (0.38) KIF11
SCHEMBL27791817 0.88 SLC6A4 (0.41) KDM1ABACE1SLC6A4MAOB
SCHEMBL3110578 0.88 NLRP3 (0.39) KDM1ASLC6A4CYP1A2CYP3A4MAPT
SCHEMBL1610595 0.85 KDM1A (0.36) KDM1ATSHRMAPK1BACE1SLC6A4
SCHEMBL20508225 0.85 GPR52 (0.40) KDM1AKIF11CTSCMAOBHDAC6
SCHEMBL1610621 0.85 KDM1A (0.36) KDM1ATSHRMAPK1BACE1SLC6A4
SCHEMBL28910306 0.85 ALDH1A1 (0.39) KDM1ABACE1SLC6A4KIF11ALDH1A1
SCHEMBL26962758 0.82 KDM1A (0.46) KDM1ATSHRMAPK1BACE1SLC6A4
SCHEMBL1610992 0.82 KDM1A (0.34) KDM1ABACE1SLC6A4MAPTHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101522672-A Insecticidal isoxazolines BAYER CROPSCIENCE AG (DE) 2009-09-02 CN 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 KDM1A 699/4885TSHR 1735/4885MAPK1 3052/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM1A 133/4885TSHR 2067/4885MAPK1 2344/4885

“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.