SCHEMBL887602

SCHEMBL887602

Cc1cc(N(CCO)CCO)ccc1N=Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
POLB P06746 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
MMP14 P50281 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDR P35968 1/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 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
SCHEMBL887581 0.88 KDR (0.47) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL8393194 0.88 KDR (0.47) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL13337935 0.85 KDR (0.42) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL8016440 0.83 MAPT (0.55) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL1098887 0.83 ALDH1A1 (0.44) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL1098885 0.83 ALDH1A1 (0.44) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL13252803 0.81 MEN1 (0.38) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL17589107 0.80 KDR (0.42) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL14470461 0.80 MAPT (0.54) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL11058388 0.80 ALDH1A1 (0.39) MAPTPOLBTDP1SMN1; SMN2MEN1

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 MAPT 4706/4885POLB 387/4885TDP1 487/4885
US-20070003957-A1 Real-time linear detection probes: sensitive 5'-minor groove binder-containing probes for PCR analysis RNGTT, DCLRE1B, CNBP MAPT 4694/4885POLB 7/4885TDP1 280/4885

“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.