SCHEMBL20164645

SCHEMBL20164645

CCCNc1nc(Cl)nc2c(NCCCO)nc(Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.51
KMT2A Q03164 3/20 0.46
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20164617 0.90 SLC29A1 (0.47) SLC29A1KMT2AHDAC1HDAC2TLR8
SCHEMBL20164638 0.90 SLC29A1 (0.54) SLC29A1KMT2AHDAC1HDAC2HTT
SCHEMBL16094375 0.88 SLC29A1 (0.47) SLC29A1KMT2AHDAC1HDAC2TLR8
SCHEMBL20164569 0.85 SLC29A1 (0.41) SLC29A1KMT2AHDAC1HDAC2HTT
SCHEMBL20164668 0.81 SLC29A1 (0.44) SLC29A1KMT2AHDAC1HDAC2TLR7
SCHEMBL20164779 0.81 SLC29A1 (0.42) SLC29A1KMT2AHDAC1HDAC2TLR8
SCHEMBL10005092 0.81 KMT2A (0.54) SLC29A1KMT2AHDAC1HDAC2TLR8
SCHEMBL20164523 0.79 SLC29A1 (0.62) SLC29A1KMT2ATLR8TLR7AXL
SCHEMBL20164626 0.78 KMT2A (0.44) SLC29A1KMT2AHDAC1HDAC2TLR8
SCHEMBL20164769 0.78 SLC29A1 (0.42) SLC29A1KMT2AHDAC1HDAC2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 SLC29A1 4472/4885KMT2A 2456/4885HDAC1 1176/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885KMT2A 2528/4885HDAC1 1284/4885

“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.