SCHEMBL20164572

SCHEMBL20164572

CCCNc1nc(NCC)c2nc(Cl)nc(NCC)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.48
SLC29A1 Q99808 2/20 0.47
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.36
APP P05067 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TACR2 P21452 1/20 0.34

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
SCHEMBL30560020 1.00 KMT2A (0.49) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL17494542 0.90 LMNA (0.61) KMT2ALMNASLC29A1CYP1A2CYP2C19
SCHEMBL16094511 0.89 SLC29A1 (0.56) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL16094346 0.87 KMT2A (0.49) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL30560031 0.87 KMT2A (0.49) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL16094375 0.84 SLC29A1 (0.47) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL16094623 0.84 LMNA (0.54) KMT2ALMNAMAPT
SCHEMBL16093975 0.83 SLC29A1 (0.44) KMT2ALMNASLC29A1NR1I2AHR
SCHEMBL16094399 0.82 SLC29A1 (0.56) KMT2ALMNASLC29A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL16094591 0.82 SLC29A1 (0.43) KMT2ALMNASLC29A1NR1I2AHR

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 KMT2A 2456/4885LMNA 1394/4885SLC29A1 4472/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 KMT2A 2528/4885LMNA 1200/4885SLC29A1 4518/4885

“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.