Sugi Predict

Sugi Predict / Compounds / SCHEMBL331453

SCHEMBL331453

SCHEMBL331453

COc1ccc(N)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 1.00
▸ EP300 Q09472 3/20 0.96
▸ KAT8 Q9H7Z6 2/20 0.96
▸ ALDH1A1 P00352 6/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ IMPDH2 P12268 1/20 0.52
▸ IMPDH1 P20839 1/20 0.52
▸ NQO1 P15559 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ FGB P02675 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL6155452 0.98 EP300 (1.00) IDO1EP300KAT8ALDH1A1TDP1
Chlorobenzene SCHEMBL8843354 0.89 IDO1 (0.79) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL485125 0.86 IDO1 (0.76) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL30881664 0.86 IDO1 (0.76) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL419307 0.85 IDO1 (0.73) IDO1EP300KAT8ALDH1A1IMPDH2
SCHEMBL29380721 0.85 IDO1 (0.73) IDO1EP300KAT8ALDH1A1IMPDH2
SCHEMBL4687323 0.81 IDO1 (0.68) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL5747547 0.79 NQO1 (0.77) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL11618652 0.78 IDO1 (0.64) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL12019841 0.78 IDO1 (0.64) IDO1EP300KAT8ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281897-A1 Potentialization of the activation of high molecular weight prodrugs DIATOS S.A. (FR) 2006-12-14 — — US claimed
US-20250161501-A1 Radiolabeled Compounds for Imaging of Fibroblast Activation Protein (FAP) and Treatment of FAP-Related Disorders PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2025-05-22 — — US disclosed
CN-113801087-B Benzo-six-membered ring derivatives as DPP-4 inhibitors and uses thereof 山东百极地长制药有限公司 2024-08-30 — — CN disclosed
CN-118221915-A Hole transport material doped with modified fluorene polymer containing oligoether chain, preparation and application thereof 华南理工大学 2024-06-21 — — CN disclosed
CN-113801088-B Benzo six-membered ring derivative and application thereof 山东百极地长制药有限公司 2024-04-26 — — CN disclosed
CN-117903781-A Visible light excited organic long afterglow material, three-dimensional structure, preparation method and application thereof 西北工业大学 2024-04-19 — — CN disclosed
WO-2023133645-A1 RADIOLABELED COMPOUNDS FOR IMAGING OF FIBROBLAST ACTIVATION PROTEIN (FAP) AND TREATMENT OF FAP-RELATED DISORDERS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-07-20 — — WO disclosed
CN-113801088-A Benzo-six-membered ring derivative and application thereof 山东百极地长制药有限公司 2021-12-17 — — CN disclosed
CN-113801087-A Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof 山东百极地长制药有限公司 2021-12-17 — — CN disclosed
WO-2021249566-A1 BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF 山东百极地长制药有限公司 2021-12-16 — — WO disclosed
US-4234483-A COLORFASTNESS; BRIGHTNESS AMERICAN COLOR & CHEMICAL CORPORATION (US) 1980-11-18 — — US disclosed
US-4171221-A NONSILVER PHOTOGTAPHY EASTMAN KODAK COMPANY (US) 1979-10-16 — — US disclosed
US-4158542-A Acyldihydroxybenzene azo dyes for metallized polyolefins AMERICAN COLOR & CHEMICAL CORPORATION (US) 1979-06-19 — — US disclosed
US-4118383-A COLORFAST ON POLYESTER AND METALLIZED POLYPROPYLENE FIBERS AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-10-03 — — US disclosed
US-4089850-A FOR METAL MODIFIED POLYPROPYLENE AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-05-16 — — US disclosed
US-4066388-A DISAZO DYES DERIVED FROM 1-ACYL-2,4-DIHYDROXYBENZENES AND METALLIZED POLYOLEFIN DYED THEREWITH AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-01-03 — — US disclosed
US-4056519-A TRIPEPTIDYL-4-METHOXY-2-NAPHTHYLAMIDE ELI LILLY AND COMPANY (US) 1977-11-01 — — US disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 — — US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 — — 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 (2 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-20250161501-A1 Radiolabeled Compounds for Imaging of Fibroblast Activation Protein (FAP) and Treatment of FAP-Related Disorders FAP, FIBP, FGFR1 IDO1 4279/4885EP300 685/4885KAT8 3912/4885
US-20060281897-A1 Potentialization of the activation of high molecular weight prodrugs CD44, MMP12, FOLH1 IDO1 2299/4885EP300 2397/4885KAT8 3978/4885

“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.