Sugi Predict

Sugi Predict / Compounds / SCHEMBL20456804

SCHEMBL20456804

SCHEMBL20456804

C[C@@H]1CN(c2ccc(I)cn2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ AOC3 Q16853 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ADRA1A P35348 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ MAP3K12 Q12852 1/20 0.38

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
SCHEMBL18307179 1.00 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL10034110 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL18436130 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL31182223 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL15743968 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL24018507 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL20456715 0.80 MAP3K12 (0.38) MAP3K12PIK3CAMTOR
SCHEMBL18436755 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1GAA
SCHEMBL22837868 0.80 SORD (0.35) MAPT
SCHEMBL1080321 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132139-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-14 — — US disclosed
EP-4692076-A1 HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2026-02-11 — — EP disclosed
US-12479853-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2025-11-25 — — US disclosed
EP-3909949-B1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES INC (US) 2025-10-15 — — EP disclosed
US-20250042910-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12084455-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2024-09-10 — — US disclosed
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — US disclosed
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — US disclosed
CN-115093421-A HIV inhibitor compounds 吉利德科学公司 2022-09-23 — — CN disclosed
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 — — EP disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 — — EP disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 — — US disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 — — US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 — — US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 — — US disclosed
US-10294234-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-05-21 — — US disclosed
US-10294234-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-05-21 — — US disclosed
US-20180258097-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-09-13 — — US disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 — — WO disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 — — WO 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 (9 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-20230027055-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-20180258097-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-10752636-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-12479853-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 KMT2A 1191/4885AOC3 4237/4885KDM4E 742/4885
US-12084455-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-20260132139-A1 HIV INHIBITOR COMPOUNDS SLC11A2, SLC6A15, NHERF1 KMT2A 2228/4885AOC3 3675/4885KDM4E 1200/4885
US-20250042910-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885
US-10294234-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 KMT2A 1636/4885AOC3 4271/4885KDM4E 304/4885

“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.