SCHEMBL20164652

SCHEMBL20164652

OCCNc1nc(Cl)nc2c(Cl)nc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL20164569 0.89 SLC29A1 (0.41) SLC29A1HTTKMT2APOLBMAPT
SCHEMBL20164431 0.84 SLC29A1 (0.46) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL20164638 0.84 SLC29A1 (0.54) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL20164779 0.81 SLC29A1 (0.42) SLC29A1KMT2AKDM4ERAD52
SCHEMBL20164550 0.80 HTT (0.40) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL20164352 0.80 HTT (0.40) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL20164700 0.80 HTT (0.49) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL20164636 0.80 SLC29A1 (0.43) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL24175691 0.79 HTT (0.44) SLC29A1HTTKMT2APOLBKDM4E
SCHEMBL31218226 0.79 HTT (0.44) SLC29A1HTTKMT2APOLBKDM4E

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 4472/4885HTT 1972/4885KMT2A 2456/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885HTT 1791/4885KMT2A 2528/4885

“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.