SCHEMBL6675262

SCHEMBL6675262

COc1cc2[nH]c(=O)c([N+](=O)[O-])c(C(F)(F)F)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
GRIN2D O15399 8/20 0.45
GRIN3B O60391 8/20 0.45
GRIN1 Q05586 8/20 0.45
GRIN2A Q12879 8/20 0.45
GRIN2B Q13224 8/20 0.45
GRIN2C Q14957 8/20 0.45
GRIN3A Q8TCU5 8/20 0.45
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.37

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
SCHEMBL6680406 0.78 KDM4E (0.50) KDM4EMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL6675265 0.76 CYP19A1 (0.47) KDM4EMAPTBLMTDP1ALDH1A1
SCHEMBL8896916 0.71 GRIN2D (0.59) KDM4EMAPTBLMTDP1ALDH1A1
SCHEMBL6682269 0.70 CA12 (0.48) KDM4EMAPTBLMTDP1PARP1
SCHEMBL8896271 0.70 GRIN2D (0.73) KDM4EMAPTBLMTDP1GRIN2D
SCHEMBL6678538 0.70 AR (0.57) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7983954 0.68 ALDH1A1 (0.70) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL28396699 0.68 TP53 (0.50) KDM4EMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL7786500 0.67 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27944806 0.66 GRIN2D (0.67) MAPTBLMTDP1HPGDGRIN2D

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 KDM4E 1871/4885MAPT 2109/4885BLM 316/4885

“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.