Sugi Predict

Sugi Predict / Compounds / SCHEMBL3280475

SCHEMBL3280475

SCHEMBL3280475

O=[N+]([O-])c1ccc2[nH]c(=S)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.70
▸ GRIA2 P42262 1/20 0.70
▸ GRIA3 P42263 1/20 0.70
▸ GRIA4 P48058 1/20 0.70
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ PSMB8 P28062 2/20 0.56
▸ PARP1 P09874 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ APOBEC3G Q9HC16 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MPI P34949 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ XDH P47989 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
SCHEMBL30022127 0.82 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4CRHBP
SCHEMBL1842652 0.82 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4CRHBP
SCHEMBL7261685 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4CRHBP
SCHEMBL29540314 0.74 GABRA1 (0.70) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL155013 0.74 GABRA1 (0.70) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29993384 0.74 PARP1 (0.73) GRIA1GRIA2GRIA3GRIA4PSMB8
SCHEMBL6008297 0.74 PARP1 (0.73) GRIA1GRIA2GRIA3GRIA4PSMB8
SCHEMBL14824474 0.73 CRHBP (1.00) GRIA1GRIA2GRIA3GRIA4CRHBP
SCHEMBL30278461 0.72 PSMB8 (1.00) GRIA1GRIA2GRIA3GRIA4CRHBP
SCHEMBL2074264 0.72 PSMB8 (1.00) GRIA1GRIA2GRIA3GRIA4CRHBP

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
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 — — CN disclosed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-115380034-A Benzodiazepine derivatives as GABA a γ 1 PAM 豪夫迈·罗氏有限公司 2022-11-22 — — CN disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 — — US disclosed
EP-4013834-A1 FLUORESCENT POLYMER, FLUORESCENT PROBE AND CONJUGATION KIT FOR ADVANCED FUNCTIONAL ANALYSIS OF CELLS IN HAEMATOLOGY, IMMUNOLOGY AND MICROBIOLOGY, METHOD OF PREPARATION AND USE THEREOF I.T.A. INTERTACT S.R.O. (CZ) 2022-06-22 — — EP disclosed
CN-109071562-B Fused 1, 4-oxazepine and related analogs as BET bromodomain inhibitors 密执安大学评议会 2022-03-22 — — CN disclosed
CN-107406431-B Indole derivatives, preparation method and medical application thereof 上海昂睿医药技术有限公司 2020-06-26 — — CN disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 — — US disclosed
WO-2017028816-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG 浙江海正药业股份有限公司 2017-02-23 — — WO disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 — — US disclosed
US-20090262623-A1 OPTICAL MEDIA FORMAT FLEXPLAY TECHNOLOGIES, INC. (US) 2009-10-22 — — US disclosed
US-20090262623-A1 OPTICAL MEDIA FORMAT FLEXPLAY TECHNOLOGIES, INC. (US) 2009-10-22 — — US disclosed
US-20090262623-A1 OPTICAL MEDIA FORMAT FLEXPLAY TECHNOLOGIES, INC. (US) 2009-10-22 — — US disclosed
CN-101099204-A Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES INC (US) 2008-01-02 — — CN disclosed
US-20060136948-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-22 — — US disclosed
US-20060136947-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-22 — — US disclosed
US-20060136958-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-22 — — US disclosed
US-20060126484-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-15 — — US disclosed
US-20060105134-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-05-18 — — US disclosed
US-5290801-A Anticholesterol or antilipemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-01 — — 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 (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-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A GRIA1 4353/4885GRIA2 4316/4885GRIA3 4623/4885

“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.