Sugi Predict

Sugi Predict / Compounds / SCHEMBL4733957

SCHEMBL4733957

SCHEMBL4733957

O=C1CCN1c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ CTSG P08311 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 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
SCHEMBL1171241 0.88 ALDH1A1 (0.62) IDO1ALDH1A1AKR1C3HPGDNPC1
SCHEMBL29930390 0.88 ALDH1A1 (0.62) IDO1ALDH1A1AKR1C3HPGDNPC1
SCHEMBL10112811 0.86 IDO1 (0.57) IDO1ALDH1A1RXFP1AKR1C3HPGD
SCHEMBL6330306 0.84 IDO1 (0.56) IDO1ALDH1A1RXFP1AKR1C3HPGD
SCHEMBL11933644 0.79 IDO1 (0.54) IDO1ALDH1A1AKR1C3HPGDNPC1
SCHEMBL4240116 0.78 KMT2A (0.53) ALDH1A1MGLLAKR1C3HPGDNPC1
SCHEMBL18788887 0.78 ALDH1A1 (0.47) ALDH1A1FAAHMGLLAKR1C3HPGD
SCHEMBL18805067 0.78 RAB9A (0.51) ALDH1A1MGLLAKR1C3NPC1RAB9A
SCHEMBL2710657 0.78 ALOX5 (0.48) ALDH1A1MGLLAKR1C3NPC1RAB9A
SCHEMBL12615119 0.78 RAB9A (0.51) ALDH1A1MGLLAKR1C3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057948-A2 PROCESSES FOR PRODUCTION OF DIPHENYLYLAZETIDIN-2-ONES AND RELATED COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-15 — — WO claimed
US-20260049092-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES INC (US) 2026-02-19 — — US disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 — — EP disclosed
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 — — EP disclosed
EP-4568955-A1 ANTIBACTERIAL COMPOUNDS Blacksmith Medicines, Inc. (US) 2025-06-18 — — EP disclosed
CN-119907795-A Antibacterial compounds 布莱克史密斯医药公司 2025-04-29 — — CN disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 — — US disclosed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 — — EP disclosed
WO-2024036176-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. (US) 2024-02-15 — — WO disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 — — EP disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 — — US disclosed
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2022-11-17 — — US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 — — US disclosed
EP-3703692-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-09 — — EP disclosed
CN-106928113-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-07-07 — — CN disclosed
WO-2008057948-A2 PROCESSES FOR PRODUCTION OF DIPHENYLYLAZETIDIN-2-ONES AND RELATED COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-15 — — 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 (5 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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885ALDH1A1 763/4885RXFP1 2421/4885
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 IDO1 923/4885ALDH1A1 901/4885RXFP1 4639/4885
US-20260049092-A1 ANTIBACTERIAL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, FPR1 IDO1 2184/4885ALDH1A1 3250/4885RXFP1 527/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885ALDH1A1 730/4885RXFP1 2769/4885
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 IDO1 923/4885ALDH1A1 901/4885RXFP1 4639/4885

“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.