SCHEMBL19220286

SCHEMBL19220286

O=C(NCCCCCCCCNC(=O)OC1CCn2ccnc21)OC1CCn2ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
ABHD16A O95870 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G7 Q13093 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
DAGLB Q8NCG7 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
ACHE P22303 4/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL19220306 1.00 DRD3 (0.35) DRD3KDM4EALDH1A1HPGDKEAP1
SCHEMBL19220268 1.00 DRD3 (0.35) DRD3KDM4EALDH1A1HPGDKEAP1
SCHEMBL19220307 1.00 DRD3 (0.35) DRD3KDM4EALDH1A1HPGDKEAP1
SCHEMBL19220270 1.00 DRD3 (0.35) DRD3KDM4EALDH1A1HPGDKEAP1
SCHEMBL19220293 0.87 DRD3 (0.35) DRD3KDM4EKEAP1NFE2L2BCHE
SCHEMBL19223284 0.87 DRD3 (0.35) DRD3KDM4EKEAP1NFE2L2BCHE
SCHEMBL19220266 0.87 DRD3 (0.35) DRD3KDM4EKEAP1NFE2L2BCHE
SCHEMBL19220265 0.85 MTNR1A (0.37) HPGDFAAH
SCHEMBL19220269 0.85 NAAA (0.36) DRD3KDM4EALDH1A1HPGDKEAP1
SCHEMBL26878452 0.85 MTNR1A (0.37) HPGDFAAH

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-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-10 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 (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-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS NUDT1, PNP, SAMHD1 DRD3 3683/4885KDM4E 3673/4885ALDH1A1 546/4885

“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.