SCHEMBL1609341

SCHEMBL1609341

Fc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
OPRL1 P41146 1/20 0.39
KDM1A O60341 2/20 0.38
ADCY8 P40145 1/20 0.37
ADCY1 Q08828 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1611211 0.89 KDM1A (0.40) KDM1ACYP3A4CYP2D6TSHRMAPK1
SCHEMBL3110578 0.89 NLRP3 (0.39) KDM1AHTTCYP3A4MAPTSLC6A4
SCHEMBL1610695 0.89 HTT (0.39) NPY5RADCY8ADCY1HTTPKM
SCHEMBL27791817 0.87 SLC6A4 (0.41) OPRL1KDM1ABACE1SLC6A4
SCHEMBL28910306 0.86 ALDH1A1 (0.39) KDM1ABACE1SLC6A4
SCHEMBL1611568 0.85 KDM1A (0.34) NPY5RKDM1ABACE1SLC6A4
SCHEMBL1610992 0.85 KDM1A (0.34) OPRL1KDM1ABACE1KDM4EMAPT
SCHEMBL20508225 0.84 GPR52 (0.40) KDM1A
SCHEMBL1611793 0.82 TEAD1 (0.35) KDM1ABACE1KDM4EPGR
SCHEMBL1610595 0.82 KDM1A (0.36) KDM1ACYP3A4TSHRMAPK1BACE1

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 NPY5R 250/4885OPRL1 1553/4885KDM1A 699/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA NPY5R 535/4885OPRL1 1855/4885KDM1A 133/4885

“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.