SCHEMBL2526085

SCHEMBL2526085

CC(C)(C)OC(=O)N(Br)Cc1cccc(C=NO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
AKT1 P31749 1/20 0.35
RIPK1 Q13546 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
G6PC1 P35575 1/20 0.33
PTGES O14684 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GLS O94925 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
SCHEMBL2522263 0.86 AKT1 (0.37) ALDH1A1RAB9ANPC1AKT1RIPK1
SCHEMBL2522210 0.79 AKT1 (0.39) AKT1RIPK1GLSHTR2CSLC6A4
SCHEMBL19950486 0.78 RIPK1 (0.51) ALDH1A1L3MBTL1RIPK1MEN1KMT2A
SCHEMBL2520668 0.77 SLC7A5 (0.39) RAB9ANPC1AKT1RIPK1MEN1
SCHEMBL3353841 0.77 AKT1 (0.54) L3MBTL1RAB9ANPC1AKT1RIPK1
SCHEMBL12206558 0.75 GLS (0.47) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL13181773 0.75 GLS (0.47) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL7355121 0.75 RAB9A (0.46) ALDH1A1KDM4EPOLBSMN1; SMN2RAB9A
SCHEMBL2636113 0.74 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL2636114 0.73 NQO2 (0.46) KDM4EPOLBL3MBTL1SMN1; SMN2RAB9A

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
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 EP disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX ALDH1A1 271/4885KDM4E 1956/4885POLB 1501/4885

“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.