SCHEMBL16094262

SCHEMBL16094262

CCCCNc1nc(NC)c2nc(NCCCC)nc(NC)c2n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.67
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CASP6 P55212 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
SLC2A1 P11166 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 3/20 0.39
DNM2 P50570 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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 SCHEMBL17494510 0.98 SLC29A1 (0.65) SLC29A1CA1CA2CA9CASP6
SCHEMBL20179360 0.95 SLC29A1 (0.61) SLC29A1CA1CA2CA9CASP6
SCHEMBL16094704 0.88 SLC29A1 (0.51) SLC29A1CA1CA2CA9SLC2A1
Hydrochloric Acid SCHEMBL16094696 0.86 SLC29A1 (0.50) SLC29A1CA1CA2CA9SLC2A1
SCHEMBL16094226 0.85 SLC29A1 (0.77) SLC29A1CA1CA2CA9CASP6
Hydrochloric Acid SCHEMBL16094767 0.83 SLC29A1 (0.75) SLC29A1CA1CA2CA9CASP6
SCHEMBL20179388 0.80 SLC29A1 (0.66) SLC29A1KMT2AKDM4E
SCHEMBL16094592 0.79 LMNA (0.46) SLC29A1CA1CA2CA9KMT2A
SCHEMBL9913723 0.79 SLC29A1 (0.50) SLC29A1CA1CA2CA9KCNH3
SCHEMBL14869373 0.79 SLC29A1 (0.50) SLC29A1CA1CA2CA9KCNH3

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 1696/4885CA1 2541/4885CA2 927/4885

“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.