SCHEMBL980752

SCHEMBL980752

CNCc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
ATM Q13315 1/20 0.30
ATR Q13535 1/20 0.30
GRM2 Q14416 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
SCHEMBL978710 0.86
SCHEMBL981487 0.86
SCHEMBL980955 0.84 HSD11B1 (0.35) CA1CA2EPHX2NR1H4
SCHEMBL979491 0.84 HSD11B1 (0.35) CA1CA2EPHX2NR1H4
SCHEMBL983573 0.83 ALDH1A1 (0.35) CA1CA2EPHX2NR1H4
SCHEMBL981082 0.82 HPGD (0.32) CA1CA2
SCHEMBL983571 0.82 ALDH1A1 (0.34) CA1CA2EPHX2NR1H4
SCHEMBL3620024 0.81 TP53 (0.35) CA1CA2EPHX2NR1H4
SCHEMBL980947 0.80 ALDH1A1 (0.38) EPHX2NR1H4
SCHEMBL983569 0.80 ALDH1A1 (0.48) EPHX2NR1H4

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 CA1 2380/4885CA2 837/4885EPHX2 2604/4885

“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.