SCHEMBL16094465

SCHEMBL16094465

CCCNc1nc(N(C)C)nc2c(NCCC)nc(NC)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.51
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 2/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
MERTK Q12866 1/20 0.32
PDE4A P27815 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
CREBBP Q92793 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
Hydrochloric Acid SCHEMBL16094322 0.98 SLC29A1 (0.50) SLC29A1ABL1SRCALDH1A1SMN1; SMN2
SCHEMBL16094242 0.88 SLC29A1 (0.62) SLC29A1ABL1SRCALDH1A1SMN1; SMN2
SCHEMBL16094477 0.88 SLC29A1 (0.44) SLC29A1ABL1SRCALDH1A1SMN1; SMN2
SCHEMBL16094312 0.87 SLC29A1 (0.51) SLC29A1APPBCHEACHETLR7
SCHEMBL16094480 0.86 SLC29A1 (0.57) SLC29A1ALDH1A1APPBCHEACHE
SCHEMBL16095016 0.85 SLC29A1 (0.47) SLC29A1MERTKCYP1A2
Hydrochloric Acid SCHEMBL17494517 0.85 SLC29A1 (0.56) SLC29A1ALDH1A1APPBCHEACHE
Hydrochloric Acid SCHEMBL17494536 0.85 SLC29A1 (0.50) SLC29A1APPBCHEACHETLR7
Hydrochloric Acid SCHEMBL17494511 0.84 SLC29A1 (0.46) SLC29A1MERTKCYP1A2
Hydrochloric Acid SCHEMBL16094370 0.79 SLC29A1 (0.53) SLC29A1ALDH1A1SMN1; SMN2APPTLR7

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 8 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 claimed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US claimed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO claimed
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

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 1696/4885ABL1 3764/4885SRC 4875/4885

“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.