SCHEMBL6679443

SCHEMBL6679443

COc1cc2c(C(F)(F)F)c([N+](=O)[O-])c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
SRC P12931 2/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
P2RX4 Q99571 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL7981572 0.83 NOX4 (0.68) TP53SRCPRKACAPRKACGPRKACB
SCHEMBL6679445 0.83 KMT2A (0.40) TP53SRCPRKACAPRKACGPRKACB
SCHEMBL11445232 0.78 KMT2A (0.53) TP53SRCPRKACAPRKACGPRKACB
SCHEMBL6678043 0.78 LMNA (0.39) TP53KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7981786 0.77 SRC (0.56) TP53SRCPRKACAPRKACGPRKACB
SCHEMBL7970086 0.66 SRC (0.63) TP53SRCPRKACAPRKACGPRKACB
SCHEMBL7981707 0.66 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL6675262 0.66 KDM4E (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7983884 0.65 SRC (0.67) SRCPRKACAPRKACGPRKACBKMT2A
SCHEMBL18177869 0.64 KDM4E (0.66) TP53KMT2AMEN1ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181341-B1 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2004-10-27 EP disclosed
US-6635759-B2 Used as luminescent marker for peptides, proteins, RNA and DNA, as complexing agent Uray, Georg (AT) 2003-10-21 US disclosed
US-20020058793-A1 Luminescent 4-trifluoromethy1-2-quinolones with long wave UV absorption and their use AGILENT TECHNOLOGIES, INC. 2002-05-16 US disclosed
EP-1181341-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF Uray, Georg (AT) 2002-02-27 EP disclosed
WO-2000066680-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2000-11-09 WO 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-20020058793-A1 Luminescent 4-trifluoromethy1-2-quinolones with long wave UV absorption and their use CYP4F2, CYP4F12, CRY1 TP53 3694/4885SRC 4280/4885PRKACA 4080/4885

“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.