SCHEMBL980947

SCHEMBL980947

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.32
P2RX7 Q99572 4/20 0.31
TP53 P04637 2/20 0.31
RECQL P46063 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
SCHEMBL983569 0.92 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD11B1MAPTLMNA
SCHEMBL983573 0.90 ALDH1A1 (0.35) ALDH1A1HSD11B1LMNAEPHX2NR1H4
SCHEMBL981199 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1HSD11B1MAPTEPHX2
SCHEMBL983571 0.88 ALDH1A1 (0.34) ALDH1A1HSD11B1MAPTLMNAEPHX2
SCHEMBL979491 0.87 HSD11B1 (0.35) HSD11B1LMNAEPHX2NR1H4P2RX7
SCHEMBL980955 0.87 HSD11B1 (0.35) HSD11B1LMNAEPHX2NR1H4P2RX7
SCHEMBL3620024 0.87 TP53 (0.35) ALDH1A1HSD11B1MAPTEPHX2NR1H4
SCHEMBL12948804 0.83 ALDH1A1 (0.37) ALDH1A1HSD11B1MAPTLMNAEPHX2
SCHEMBL980752 0.80 CA1 (0.31) EPHX2NR1H4
SCHEMBL16888428 0.80 CA1 (0.36) HSD11B1MAPTLMNAEPHX2NR1H4

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 3126/4885L3MBTL1 103/4885HSD11B1 1009/4885

“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.