SCHEMBL20164550

SCHEMBL20164550

OCCNc1nc(Cl)nc2c(NCC(F)(F)F)nc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SLC29A1 Q99808 5/20 0.40
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTPN1 P18031 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
IL1B P01584 1/20 0.30

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
SCHEMBL20164652 0.80 SLC29A1 (0.44) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164744 0.79 SLC29A1 (0.53) SLC29A1KMT2AKDM4EPOLBMAPK1
Hydrochloric Acid SCHEMBL20164666 0.78 SLC29A1 (0.51) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164431 0.78 SLC29A1 (0.46) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164638 0.78 SLC29A1 (0.54) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164352 0.77 HTT (0.40) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164700 0.74 HTT (0.49) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164636 0.74 SLC29A1 (0.43) HTTSLC29A1KMT2AKDM4EPOLB
SCHEMBL20164385 0.74 SLC29A1 (0.61) SLC29A1KMT2AKDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL20164632 0.73 SLC29A1 (0.60) SLC29A1KMT2AKDM4EMAPK1ALDH1A1

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