SCHEMBL1857922

SCHEMBL1857922

CCCC(=O)NCc1ccc(C2=NOC(c3cc(Br)c(F)c(Br)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.38
P2RX7 Q99572 11/20 0.35
HSD11B1 P28845 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16243409 0.88 PTGES (0.35) PTGESP2RX7HSD11B1LMNA
SCHEMBL15492050 0.88 PTGES (0.35) PTGESP2RX7HSD11B1LMNA
SCHEMBL14234100 0.83 PTGES (0.38) PTGESP2RX7TP53MAPT
SCHEMBL16888428 0.83 CA1 (0.36) P2RX7HSD11B1TP53LMNAMAPT
SCHEMBL12069085 0.82 PTGES (0.36) PTGESP2RX7TP53
SCHEMBL979491 0.81 HSD11B1 (0.35) P2RX7HSD11B1TP53LMNA
SCHEMBL1858374 0.81
SCHEMBL980955 0.79 HSD11B1 (0.35) P2RX7HSD11B1TP53LMNA
SCHEMBL983573 0.79 ALDH1A1 (0.35) P2RX7HSD11B1TP53LMNA
SCHEMBL12948804 0.79 ALDH1A1 (0.37) P2RX7HSD11B1TP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 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 (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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 PTGES 4793/4885P2RX7 155/4885HSD11B1 581/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 PTGES 4751/4885P2RX7 244/4885HSD11B1 422/4885

“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.