SCHEMBL887564

SCHEMBL887564

CC(=O)c1cc([N+](=O)[O-])c(N=Nc2ccc(N(CCO)CCO)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
USP47 Q96K76 6/20 0.39
USP7 Q93009 9/20 0.38
PADI4 Q9UM07 1/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MMP14 P50281 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
PSMD14 O00487 1/20 0.36
MITF O75030 1/20 0.36
USP10 Q14694 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL887548 0.85 MAPT (0.49) ALDH1A1TDP1TSHRUSP47USP7
SCHEMBL1098885 0.84 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL1098887 0.84 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL13252799 0.80 USP47 (0.39) ALDH1A1TDP1TSHRUSP47USP7
SCHEMBL15693775 0.76 MMP14 (0.35) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL9950478 0.75 MMP14 (0.55) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL10622859 0.73 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL10622864 0.73 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL12776704 0.73 MAPT (0.37) ALDH1A1TDP1MAPTPOLBMMP14
SCHEMBL112464 0.73 ALDH1A1 (0.66) ALDH1A1TDP1TSHRMAPTPOLB

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 2211/4885TDP1 487/4885TSHR 2990/4885
US-20070003957-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis RNGTT, DCLRE1B, CNBP ALDH1A1 3606/4885TDP1 280/4885TSHR 1082/4885

“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.