Sugi Predict

Sugi Predict / Compounds / SCHEMBL3609702

SCHEMBL3609702

SCHEMBL3609702

Cc1cscc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 7/20 1.00
▸ CYP2B6 P20813 4/20 1.00
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ CYP2E1 P05181 2/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ PTGS2 P35354 2/20 0.50
▸ ESR2 Q92731 3/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL2745162 0.82 CYP2A6 (0.68) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL12422714 0.81 CYP2A6 (0.68) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL31618783 0.79 CYP2A6 (0.65) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL12457156 0.79 CYP2A6 (0.65) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL13879062 0.79 CYP2A6 (0.62) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL13263234 0.78 CYP2A6 (0.64) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL15455804 0.77 CYP2A6 (0.63) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL21052802 0.76 CYP2A6 (0.60) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL3604047 0.76 CYP2A6 (1.00) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL28174216 0.76 CYP2A6 (0.60) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 — — US claimed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 — — WO claimed
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
EP-3257093-B1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
EP-3733665-A1 NITROGEN-CONTAINING SIX-MEMBERED RING COMPOUND Asahi Kasei Pharma Corporation (JP) 2020-11-04 — — EP disclosed
US-10249831-B2 Electronic device containing cyclic lactams MERCK PATENT GMBH (DE) 2019-04-02 — — US disclosed
CN-104080902-B composition and method for surface treatment with lipase 宝洁公司 2018-08-03 — — CN disclosed
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 — — EP disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 — — US disclosed
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2018-02-08 — — US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 — — US disclosed
CN-1728900-A Display device and method for manufacturing the same SEMICONDUCTOR ENERGY LAB (JP) 2006-02-01 — — CN disclosed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 — — WO disclosed
CN-1697576-A Method for manufacturing display device SEMICONDUCTOR ENERGY LAB (JP) 2005-11-16 — — CN disclosed
WO-2005066162-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-07-21 — — WO disclosed
EP-0332704-B1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO (JP) 1994-12-21 — — EP disclosed
US-5306443-A Dissolving monomer with metal containing oxidizing agent in sufficient solvent to prevent polymerization; removal of solvent NIPPON SODA CO., LTD. (JP) 1994-04-26 — — US disclosed
EP-0332704-A1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO., LTD. (JP) 1989-09-20 — — EP 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-10249831-B2 Electronic device containing cyclic lactams OXA1L, UROD, MRPL21 CYP2A6 1416/4885CYP2B6 1211/4885CYP3A4 659/4885
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885CYP3A4 2297/4885
US-20180040832-A1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS OXA1L, UROD, MRPL21 CYP2A6 1416/4885CYP2B6 1211/4885CYP3A4 659/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX CYP2A6 4737/4885CYP2B6 4653/4885CYP3A4 4719/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885CYP3A4 2297/4885

“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.