SCHEMBL16094242

SCHEMBL16094242

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.62
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MERTK Q12866 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TOP2A P11388 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4D Q08499 1/20 0.33
APP P05067 1/20 0.33
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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 SCHEMBL16094370 0.90 SLC29A1 (0.53) SLC29A1ALDH1A1SMN1; SMN2TLR7APP
SCHEMBL16094465 0.88 SLC29A1 (0.51) SLC29A1ABL1SRCLMNACYP1A2
Hydrochloric Acid SCHEMBL16094322 0.87 SLC29A1 (0.50) SLC29A1ABL1SRCALDH1A1SMN1; SMN2
SCHEMBL16127816 0.82 SLC29A1 (0.55) SLC29A1ABL1SRCCYP1A2MERTK
SCHEMBL16094477 0.81 SLC29A1 (0.44) SLC29A1ABL1SRCLMNACYP1A2
SCHEMBL20164445 0.81 SLC29A1 (0.55) SLC29A1LMNACYP1A2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL20164699 0.80 SLC29A1 (0.53) SLC29A1LMNACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL20164344 0.80 SLC29A1 (0.47) SLC29A1ABL1SRCLMNAHSD17B10
SCHEMBL20164527 0.79 SLC29A1 (0.52) SLC29A1LMNACYP1A2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL20164424 0.78 SLC29A1 (0.51) SLC29A1LMNACYP1A2ALDH1A1SMN1; SMN2

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 6 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
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.