Sugi Predict

Sugi Predict / Compounds / SCHEMBL19220288

SCHEMBL19220288

SCHEMBL19220288

O=C(NCCCc1cccc(CCCNC(=O)O[C@@H]2CCn3ccnc32)n1)O[C@@H]1CCn2ccnc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL19220269 1.00 NAAA (0.36) NAAAKEAP1NFE2L2LIPGDRD3
SCHEMBL19220291 0.87 MTNR1A (0.37) MTNR1AMTNR1BHPGD
SCHEMBL19220265 0.87 MTNR1A (0.37) MTNR1AMTNR1BHPGD
SCHEMBL26878452 0.87 MTNR1A (0.37) MTNR1AMTNR1BHPGD
SCHEMBL19223284 0.87 DRD3 (0.35) NAAAKEAP1NFE2L2DRD3KDM4E
SCHEMBL19220266 0.87 DRD3 (0.35) NAAAKEAP1NFE2L2DRD3KDM4E
SCHEMBL19220293 0.87 DRD3 (0.35) NAAAKEAP1NFE2L2DRD3KDM4E
SCHEMBL19223414 0.85 KDM4E (0.37) KDM4EMTNR1AMTNR1B
SCHEMBL19220272 0.85 KDM4E (0.37) KDM4EMTNR1AMTNR1B
SCHEMBL19220306 0.85 DRD3 (0.35) KEAP1NFE2L2DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597422-B2 Process for making chloro-substituted nucleoside phosphoramidate compounds MERCK SHARP & DOHME CORP. (US) 2020-03-24 — — US disclosed
US-20190144485-A1 Process for Making Chloro-substituted Nucleoside Phosphoramidate Compounds MERCK SHARP & DOHME LLC 2019-05-16 — — US disclosed
US-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-10 — — US disclosed
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 (3 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-20190144485-A1 Process for Making Chloro-substituted Nucleoside Phosphoramidate Compounds NUDT1, PNP, SAMHD1 NAAA 587/4885KEAP1 1175/4885NFE2L2 2808/4885
US-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS NUDT1, PNP, SAMHD1 NAAA 587/4885KEAP1 1175/4885NFE2L2 2808/4885
US-10597422-B2 Process for making chloro-substituted nucleoside phosphoramidate compounds NUDT1, PNP, SAMHD1 NAAA 587/4885KEAP1 1175/4885NFE2L2 2808/4885

“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.