SCHEMBL20164368

SCHEMBL20164368

CN(C)c1nc(NCC(F)F)c2ncnc(NCCO)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KHK P50053 1/20 0.32
RAB9A P51151 2/20 0.32
HKDC1 Q2TB90 1/20 0.32
KMT2A Q03164 1/20 0.31
PRUNE1 Q86TP1 1/20 0.31
POLB P06746 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
SCHEMBL20164445 0.85 SLC29A1 (0.55) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL20164699 0.84 SLC29A1 (0.53) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
SCHEMBL20164612 0.84 SLC29A1 (0.34) SLC29A1ALDH1A1KDM4E
SCHEMBL20164745 0.83 ALDH1A1 (0.39) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL20164691 0.83 SLC29A1 (0.33) SLC29A1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20164671 0.82 ALDH1A1 (0.38) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
SCHEMBL20164750 0.82 ALDH1A1 (0.41) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL20164751 0.81 ALDH1A1 (0.39) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL20164524 0.81 ALDH1A1 (0.40) SLC29A1ALDH1A1SMN1; SMN2CYP3A4KDM4E
SCHEMBL20164356 0.80 KHK (0.49) SLC29A1ALDH1A1SMN1; SMN2KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US claimed

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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 SLC29A1 4472/4885ALDH1A1 2164/4885SMN1; SMN2 463/4885

“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.