SCHEMBL4834072

SCHEMBL4834072

[O]/N=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
LMNA P02545 2/20 0.49
PTGS1 P23219 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.48
FBP1 P09467 1/20 0.46
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AHR P35869 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL27662796 0.79 LMNA (0.50) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL9507242 0.77 LMNA (0.49) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL9507246 0.77 LMNA (0.49) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL3975476 0.77 LMNA (0.53) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL2117754 0.77 LMNA (0.53) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL2165990 0.77 LMNA (0.53) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL17712792 0.77 LMNA (0.53) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL2117755 0.77 LMNA (0.53) PTGS2LMNAPTGS1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28409325 0.76 LMNA (0.51) PTGS2LMNAPTGS1ALDH1A1CYP1A2
SCHEMBL5535278 0.75 CYP1A2 (0.50) PTGS2LMNAPTGS1ALDH1A1CYP1A2

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
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 PTGS2 292/4885LMNA 2902/4885PTGS1 646/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 PTGS2 727/4885LMNA 2783/4885PTGS1 1127/4885

“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.