SCHEMBL6358623

SCHEMBL6358623

O=[N+]([O-])c1nccn1CC(O)COC(F)(C(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
TYMP P19971 3/20 0.35
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
Misonidazole SCHEMBL2833961 0.95 KMT2A (0.51) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL6946434 0.80 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9724605 0.80 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL12396375 0.78 KMT2A (0.78) KMT2ALMNATHRBCYP2C19CA12
Misonidazole SCHEMBL51943 0.78 KMT2A (0.66) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL13065837 0.77 KMT2A (0.61) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL2358150 0.76 KMT2A (0.71) KMT2ALMNATHRBCYP2C19CA12
Fluoromisonidazole SCHEMBL368122 0.76 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL17022268 0.76 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL13020421 0.76 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086068-A Immunochemical detection of hypoxia in normal and tumor tissue ALBERTA CANCER BOARD (CA) 1992-02-04 US claimed
US-6855828-B1 Detection of hypoxia THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-02-15 US disclosed
US-20050026974-A1 Detection of hypoxia TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2005-02-03 US disclosed
EP-0669913-B1 DETECTION OF HYPOXIA UNIV PENNSYLVANIA (US) 2003-03-05 EP disclosed
US-6252087-B1 COMPLEXING WITH A PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-06-26 US disclosed
US-5843404-A Immunogenic conjugates of nitroaromatic compounds and proteins; monoclonal antibodies specific for nitroaromatic compounds , their protein conjugates TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-12-01 US disclosed
EP-0669913-A4 DETECTION OF HYPOXIA. UNIV PENNSYLVANIA (US) 1996-08-21 EP disclosed
US-5540908-A DETECTION OF OXYGEN DEPRIVATION USING IMMUNOHISTOLOGICAL METHODS THE TRUSTEES OF THE UNIV. OF PENNSYLVANIA (US) 1996-07-30 US disclosed
EP-0669913-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-09-06 EP disclosed
WO-1994011348-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-05-26 WO disclosed
US-5086068-A Immunochemical detection of hypoxia in normal and tumor tissue ALBERTA CANCER BOARD (CA) 1992-02-04 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-20050026974-A1 Detection of hypoxia HIF1A, HIF1AN, HYOU1 KMT2A 877/4885LMNA 4407/4885THRB 3873/4885

“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.