SCHEMBL4007088

SCHEMBL4007088

O=[N+]([O-])c1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1-n1ncnn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1611886 0.85 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1609897 0.82 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1957347 0.81 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4007092 0.75 TAS2R14 (0.35) MEN1KMT2AKDM4E
SCHEMBL1610478 0.75 MAPT (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL979360 0.71 KIF11 (0.35)
SCHEMBL472288 0.71 MAPT (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL472625 0.71 LMNA (0.42) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL1610695 0.71 HTT (0.39)
SCHEMBL472629 0.70 MAPT (0.34) ALDH1A1MAPTMEN1KMT2ALMNA

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-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
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 683/4885MAPT 4845/4885MEN1 4491/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA ALDH1A1 691/4885MAPT 4838/4885MEN1 4188/4885

“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.