SCHEMBL979491

SCHEMBL979491

O=C(CBr)NCc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
P2RX7 Q99572 14/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL980955 0.91 HSD11B1 (0.35) HSD11B1P2RX7EPHX2NR1H4LMNA
SCHEMBL983573 0.89 ALDH1A1 (0.35) HSD11B1P2RX7EPHX2NR1H4LMNA
SCHEMBL983571 0.87 ALDH1A1 (0.34) HSD11B1P2RX7EPHX2NR1H4LMNA
SCHEMBL983569 0.87 ALDH1A1 (0.48) HSD11B1P2RX7EPHX2NR1H4LMNA
SCHEMBL980947 0.87 ALDH1A1 (0.38) HSD11B1P2RX7EPHX2NR1H4LMNA
SCHEMBL3620024 0.86 TP53 (0.35) HSD11B1P2RX7EPHX2NR1H4TP53
SCHEMBL981199 0.85 ALDH1A1 (0.36) HSD11B1P2RX7EPHX2NR1H4TP53
SCHEMBL981487 0.84
SCHEMBL980752 0.84 CA1 (0.31) EPHX2NR1H4CA1CA2
SCHEMBL16888428 0.84 CA1 (0.36) HSD11B1P2RX7EPHX2NR1H4LMNA

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 2 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

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 HSD11B1 1009/4885P2RX7 511/4885EPHX2 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.