SCHEMBL887525

SCHEMBL887525

O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 6/20 0.50
POLB P06746 4/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 5/20 0.45
TSHR P16473 2/20 0.45
MMP14 P50281 2/20 0.43
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GPR35 Q9HC97 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL30341074 0.92 MAPT (0.44) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL11436488 0.92 MAPT (0.44) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL11436494 0.92 MAPT (0.44) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL14427144 0.88 MAPT (0.44) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL5354690 0.88 MAPT (0.44) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL5313230 0.87 MAPT (0.49) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL5313232 0.87 MAPT (0.49) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL14470461 0.86 MAPT (0.54) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL112464 0.86 ALDH1A1 (0.66) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL112465 0.86 ALDH1A1 (0.66) ALDH1A1MAPTPOLBGAAKMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067177-B2 Amplification methods EPOCH BIOSCIENCES, INC. (US) 2011-11-29 US disclosed
US-8067177-B2 Amplification methods EPOCH BIOSCIENCES, INC. (US) 2011-11-29 US disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-20110027780-A1 AMPLIFICATION METHODS ELITECHGROUP MDX LLC 2011-02-03 US disclosed
US-20110027780-A1 AMPLIFICATION METHODS ELITECHGROUP MDX LLC 2011-02-03 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-7723038-B2 Amplification methods ELITECH HOLDING B.V. (NL) 2010-05-25 US disclosed
US-7723038-B2 Amplification methods ELITECH HOLDING B.V. (NL) 2010-05-25 US disclosed
US-7485442-B2 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2009-02-03 US disclosed
US-7485442-B2 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2009-02-03 US disclosed
US-20080248474-A1 AMPLIFICATION METHODS EPOCH BIOSCIENCES, INC (US) 2008-10-09 US disclosed
US-20080248474-A1 AMPLIFICATION METHODS EPOCH BIOSCIENCES, INC (US) 2008-10-09 US disclosed
US-7319022-B1 Amplification and monitoring of oligonucleotide amplification in which a primer has an overlap with one or more bases of a detection probe EPOCH BIOSCIENCES, INC. (US) 2008-01-15 US disclosed
US-7319022-B1 Amplification and monitoring of oligonucleotide amplification in which a primer has an overlap with one or more bases of a detection probe EPOCH BIOSCIENCES, INC. (US) 2008-01-15 US disclosed
US-7205105-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2007-04-17 US disclosed
US-7205105-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2007-04-17 US disclosed
US-20070003957-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2007-01-04 US disclosed
US-20070003957-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis EPOCH BIOSCIENCES, INC. (US) 2007-01-04 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 (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-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS DDX5, DDX21, DCLRE1B ALDH1A1 2211/4885MAPT 4706/4885POLB 387/4885
US-20070003957-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis RNGTT, DCLRE1B, CNBP ALDH1A1 3606/4885MAPT 4694/4885POLB 7/4885

“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.