SCHEMBL981094

SCHEMBL981094

O=C1c2ccccc2C(=O)N1Cc1ccc(C2=NOC(c3cc(Br)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
CHRM5 P08912 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
AKR1B1 P15121 1/20 0.31
C5AR1 P21730 1/20 0.30
CHRM3 P20309 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
P2RX7 Q99572 1/20 0.30
MIF P14174 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
SCHEMBL981067 0.89 MAPT (0.34) GRM5CHRM5MAPTCYP1A2CYP3A4
SCHEMBL1860700 0.88 AKR1B1 (0.33) GRM5CHRM5MAPTCYP1A2CYP3A4
SCHEMBL980463 0.83
SCHEMBL1305247 0.82 GRM5 (0.33) GRM5MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16243411 0.79
SCHEMBL16243046 0.79
SCHEMBL15492050 0.78 PTGES (0.35) HTTP2RX7LMNA
SCHEMBL16243409 0.78 PTGES (0.35) HTTP2RX7LMNA
SCHEMBL978728 0.77 EPHX2 (0.36) P2RX7LMNA
SCHEMBL1860093 0.77 PKM (0.38) ADRA1DADRA1AADRA1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318757-B2 Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP 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 (1 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-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 GRM5 2279/4885ADRA1D 282/4885ADRA1A 696/4885

“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.