SCHEMBL6682269

SCHEMBL6682269

COc1cc2[nH]c(=O)cc(C(F)(F)F)c2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
AR P10275 17/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PGR P06401 5/20 0.45
PARP1 P09874 1/20 0.44
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL6678538 0.83 AR (0.57) ARKDM4EPGRNR3C1NR3C2
SCHEMBL26607750 0.82 KDM4E (0.50) KDM4EMAPTBLMTDP1
SCHEMBL31365388 0.82 KDM4E (0.50) KDM4EMAPTBLMTDP1
SCHEMBL1772828 0.79 AR (0.56) ARPGRNR3C1NR3C2
SCHEMBL5513525 0.79 AR (0.63) ARPGRNR3C1NR3C2
SCHEMBL6682273 0.78 NQO2 (0.44) ARKDM4EMAPTBLMTDP1
SCHEMBL6370062 0.74 MAPT (0.47) KDM4EMAPTTDP1
SCHEMBL12669659 0.74 NQO2 (0.43) ARKDM4EMAPTBLMTDP1
SCHEMBL1771158 0.72 AR (0.67) AR
SCHEMBL6677200 0.72 AR (0.48) ARPGRNR3C1NR3C2

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 CA12 257/4885CA9 382/4885AR 4741/4885

“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.