Sugi Predict

Sugi Predict / Compounds / SCHEMBL21446872

SCHEMBL21446872

SCHEMBL21446872

NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 1.00
▸ CD274 Q9NZQ7 1/20 1.00
▸ DHODH Q02127 1/20 0.77
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SIRT2 Q8IXJ6 4/20 0.62
▸ PPARG P37231 2/20 0.59
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SERPINE1 P05121 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ DEGS1 O15121 1/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55

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
SCHEMBL786246 0.90 PDCD1 (0.81) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL14075233 0.87 DHODH (1.00) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL23258276 0.85 PDCD1 (0.74) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL15775304 0.85 PDCD1 (0.74) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL14252955 0.84 PDCD1 (0.72) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL11826793 0.84 PDCD1 (0.72) PDCD1CD274NPC1RAB9ASIRT2
SCHEMBL11079536 0.84 PDCD1 (0.72) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL14075242 0.81 DHODH (0.88) PDCD1CD274DHODHNPC1RAB9A
SCHEMBL15775396 0.81 PTGS1 (0.68) PDCD1CD274NPC1RAB9ASIRT2
SCHEMBL7302098 0.81 PDCD1 (0.68) PDCD1CD274NPC1RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112121039-A Anti-tumor active small molecule inhibitor targeting PD-1/PD-L1 interaction and application thereof 兰州大学 2020-12-25 — — CN claimed
CN-115463137-B Novel PD-1/PD-L1 small molecule inhibitor and application thereof 浙江寿仙谷植物药研究院有限公司 2024-01-26 — — CN disclosed
CN-115463137-A Novel PD-1/PD-L1 small molecule inhibitor and application thereof 浙江寿仙谷植物药研究院有限公司 2022-12-13 — — CN disclosed
US-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 — — US disclosed
CN-112121039-A Anti-tumor active small molecule inhibitor targeting PD-1/PD-L1 interaction and application thereof 兰州大学 2020-12-25 — — CN disclosed
CN-112121039-A Anti-tumor active small molecule inhibitor targeting PD-1/PD-L1 interaction and application thereof 兰州大学 2020-12-25 — — CN disclosed
WO-2019195430-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UAB RESEARCH FOUNDATION (US) 2019-10-10 — — 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 (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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA PDCD1 4827/4885CD274 4692/4885DHODH 482/4885

“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.