SCHEMBL3420797

SCHEMBL3420797

COc1cccc2c1ccn2-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
HTR6 P50406 2/20 0.42
PTK2 Q05397 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
HTR2C P28335 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL5119197 0.85 RECQL (0.42) FFAR4MAPTALDH1A1MEN1KMT2A
SCHEMBL23883999 0.80 FFAR4 (0.52) FFAR4HTR6MAPTALDH1A1LMNA
SCHEMBL30234615 0.80 FFAR4 (0.52) FFAR4HTR6MAPTALDH1A1LMNA
SCHEMBL5109303 0.79 GAA (0.46) HTR6MAPTALDH1A1TNKSTNKS2
SCHEMBL3418050 0.79 HTR6 (0.57) FFAR4HTR6MAPTALDH1A1HTR2C
SCHEMBL3419581 0.79 FFAR4 (0.46) FFAR4HTR6MAPTHTR2CHTT
SCHEMBL8685093 0.77 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5659240 0.72 BIRC5 (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27330621 0.71 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6297057 0.70 MEN1 (0.46) HTR6PTK2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 FFAR4 4007/4885HTR6 3402/4885PTK2 330/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 FFAR4 4007/4885HTR6 3402/4885PTK2 330/4885

“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.