Sugi Predict

Sugi Predict / Compounds / SCHEMBL4574563

SCHEMBL4574563

SCHEMBL4574563

O=[N+]([O-])c1c2ccccc2[c]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.55
▸ S100A4 P26447 2/20 0.48
▸ TSHR P16473 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 5/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CTSB P07858 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL4310616 0.84 CYP3A4 (0.44) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL29674860 0.81 CYP3A4 (0.70) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL2285808 0.81 CYP3A4 (0.70) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL2829878 0.74 S100A4 (0.64) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL7176807 0.71 CYP3A4 (0.66) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL8558422 0.71 CYP3A4 (0.57) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL19033408 0.71 CYP3A4 (0.57) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL29450703 0.71 CYP3A4 (1.00) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL7915412 0.71 S100A4 (0.80) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL57759 0.71 CYP3A4 (1.00) CYP3A4S100A4TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN claimed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN claimed
CN-115181128-A Phosphine ligand of arylmethyl biaryl and transition metal complex thereof 东莞市均成高新材料有限公司 2022-10-14 — — CN claimed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN disclosed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN disclosed
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN disclosed
CN-115181128-A Phosphine ligand of arylmethyl biaryl and transition metal complex thereof 东莞市均成高新材料有限公司 2022-10-14 — — CN disclosed
WO-2011156921-A2 CATALYST LIGANDS, CATALYTIC LIGAND COMPLEXES AND POLYMERIZATION PROCESSES USING SAME LAVOIE GINO GEORGES (CA) 2011-12-22 — — WO disclosed
US-7319084-B2 Catalysts containing N-pyrrolyl substituted nitrogen donors E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-15 — — US disclosed
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 — — US disclosed
US-7056996-B2 Productivity catalysts and microstructure control E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-06 — — US disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 — — US disclosed
EP-0975682-A1 GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2000-02-02 — — EP disclosed
EP-0973762-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS , PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2000-01-26 — — EP disclosed
EP-0966490-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1999-12-29 — — EP disclosed
WO-1999062968-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-12-09 — — WO disclosed
WO-1998047933-A1 GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1998-10-29 — — WO disclosed
WO-1998040420-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1998-09-17 — — WO disclosed
WO-1998040374-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS, PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1998-09-17 — — 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-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN CYP3A4 1100/4885S100A4 618/4885TSHR 4856/4885

“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.