SCHEMBL6683045

SCHEMBL6683045

O=C(Nc1nc(C(F)(F)F)c(I)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
P2RX1 P51575 2/20 0.42
GAA P10253 1/20 0.40
JUN P05412 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CES2 O00748 1/20 0.40
XPO1 O14980 2/20 0.40
MAPT P10636 1/20 0.39
ATF1 P18846 1/20 0.39

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
SCHEMBL6247803 0.91 JUN (0.42) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6677807 0.88 TRPV1 (0.51) PI4KB
SCHEMBL7240089 0.87 P2RX1 (0.53) LMNAP2RX1GAARXFP1MAPT
SCHEMBL6249568 0.77 PI4KB (0.45) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6365689 0.76 JUN (0.43) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6247042 0.76 JUN (0.41) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6249727 0.76 JUN (0.41) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6250718 0.75 JUN (0.42) PI4KBHDAC3HDAC8HDAC6RAF1
SCHEMBL6680901 0.74 CASP3 (0.54) LMNATP53NFKB1NFKB2RELA
SCHEMBL6229445 0.74 NPC1 (0.67) RAF1BRAFKCNH2NFKB1NFKB2

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
WO-2004056177-A2 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2004-07-08 WO disclosed
US-6737382-B1 WIDE SPECTRUM OF PLANT PROTECTING ACTIVITY NIPPON SODA CO. LTD. (JP) 2004-05-18 US disclosed
US-20040082629-A1 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES NIPPON SODA CO., LTD. 2004-04-29 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-20040082629-A1 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES SCN7A, SCN2B, CASP7 PI4KB 4070/4885HDAC3 366/4885HDAC8 1415/4885

“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.