SCHEMBL983573

SCHEMBL983573

CSCC(=O)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
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 10/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 3/20 0.32
LMNA P02545 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
SCHEMBL12948804 0.93 ALDH1A1 (0.37) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL983571 0.92 ALDH1A1 (0.34) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL3620024 0.90 TP53 (0.35) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL983569 0.90 ALDH1A1 (0.48) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL980947 0.90 ALDH1A1 (0.38) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL981199 0.89 ALDH1A1 (0.36) ALDH1A1EPHX2NR1H4HSD11B1P2RX7
SCHEMBL980955 0.89 HSD11B1 (0.35) EPHX2NR1H4HSD11B1P2RX7CA1
SCHEMBL979491 0.89 HSD11B1 (0.35) EPHX2NR1H4HSD11B1P2RX7CA1
SCHEMBL980023 0.87 P2RX7 (0.31) P2RX7
SCHEMBL12070343 0.85 P2RX7 (0.35) ALDH1A1P2RX7CA1CA2TP53

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 ALDH1A1 3126/4885EPHX2 2604/4885NR1H4 1645/4885

“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.