SCHEMBL16094375

SCHEMBL16094375

CCCNc1nc(Cl)nc2c(NCCC)nc(Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.47
KMT2A Q03164 2/20 0.46
PDE10A Q9Y233 1/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.37
RAD52 P43351 1/20 0.37
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL20164779 0.92 SLC29A1 (0.42) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL20164638 0.91 SLC29A1 (0.54) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL20164668 0.89 SLC29A1 (0.44) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL18826170 0.89 SLC29A1 (0.41) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL20164645 0.88 SLC29A1 (0.51) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL16128026 0.88 SLC29A1 (0.40) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL16093975 0.88 SLC29A1 (0.44) SLC29A1KMT2APDE10ANR1I2AHR
Hydrochloric Acid SCHEMBL16094591 0.86 SLC29A1 (0.43) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL20164648 0.85 KMT2A (0.43) SLC29A1KMT2APDE10ANR1I2AHR
SCHEMBL20164537 0.85 SLC29A1 (0.41) SLC29A1KMT2APDE10ANR1I2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US disclosed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO 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-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME PRDX5, QDPR, P2RX5 SLC29A1 1696/4885KMT2A 2071/4885PDE10A 300/4885

“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.