Sugi Predict

Sugi Predict / Compounds / SCHEMBL3039191

SCHEMBL3039191

SCHEMBL3039191

O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.67
▸ S100A4 P26447 2/20 0.67
▸ GPR35 Q9HC97 2/20 0.64
▸ PTPRC P08575 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.48

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
SCHEMBL6280266 0.83 GPR35 (0.67) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL6051840 0.83 TSHR (0.69) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL28221727 0.83 TDP1 (0.63) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL22566 0.81 HSD17B10 (0.67) TDP1S100A4GPR35KMT2ARECQL
SCHEMBL16355165 0.81 HSD17B10 (0.67) TDP1S100A4GPR35KMT2ARECQL
SCHEMBL29577518 0.81 HSD17B10 (0.67) TDP1S100A4GPR35KMT2ARECQL
SCHEMBL31622744 0.81 S100A4 (0.53) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL31622745 0.81 S100A4 (0.53) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL9257330 0.81 S100A4 (0.77) TDP1S100A4GPR35PTPRCKMT2A
SCHEMBL2347136 0.81 S100A4 (0.84) TDP1S100A4GPR35PTPRCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729303-B2 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method SHANGHAI JIAOTONG UNIVERSITY (CN) 2014-05-20 — — US claimed
US-20100217040-A1 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-08-26 — — US claimed
CN-101528757-A 2,2 ', 6, 6' -tetrasubstituted aminophosphine ligand and synthesis method thereof UNIV SHANGHAI JIAOTONG (CN) 2009-09-09 — — CN claimed
US-20040115827-A1 Apparatus and method for spatially detecting or quantifying chemical species MOMENTIVE PERFORMANCE MATERIALS INC. 2004-06-17 — — US claimed
US-6676903-B2 APPARATUS FOR USE IN THE DETECTION AND QUANTIFICATION OF PREFERENTIAL PARTICLES IN SAMPLE GENERAL ELECTRIC COMPANY 2004-01-13 — — US claimed
US-20030053936-A1 Opto-acoustic wave chemical sensor GENERAL ELECTRIC COMPANY 2003-03-20 — — US claimed
US-20030040118-A1 Apparatus and method for spatially detecting or quantifying chemical species GENERAL ELECTRIC COMPANY 2003-02-27 — — US claimed
US-8729303-B2 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method SHANGHAI JIAOTONG UNIVERSITY (CN) 2014-05-20 — — US disclosed
US-8729303-B2 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method SHANGHAI JIAOTONG UNIVERSITY (CN) 2014-05-20 — — US disclosed
US-8729303-B2 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method SHANGHAI JIAOTONG UNIVERSITY (CN) 2014-05-20 — — US disclosed
US-8729303-B2 2,2′,6,6′-tetrasubstituted aminophosphine ligand and its synthesis method SHANGHAI JIAOTONG UNIVERSITY (CN) 2014-05-20 — — US disclosed
US-20100217040-A1 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-08-26 — — US disclosed
US-20100217040-A1 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-08-26 — — US disclosed
US-20100217040-A1 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-08-26 — — US disclosed
CN-101528757-A 2,2 ', 6, 6' -tetrasubstituted aminophosphine ligand and synthesis method thereof UNIV SHANGHAI JIAOTONG (CN) 2009-09-09 — — CN disclosed
CN-101528757-A 2,2 ', 6, 6' -tetrasubstituted aminophosphine ligand and synthesis method thereof UNIV SHANGHAI JIAOTONG (CN) 2009-09-09 — — CN disclosed
WO-2008019598-A1 2,2',6,6'-TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD SHANGHAI JIAOTONG UNIVERSITY (CN) 2008-02-21 — — WO disclosed
US-20060210440-A1 Opto-acoustic sensor system and associated method GENERAL ELECTRIC COMPANY (US) 2006-09-21 — — US disclosed
US-20060198760-A1 Opto-acoustic sensor device and associated method GENERAL ELECTRIC COMPANY (US) 2006-09-07 — — US disclosed
US-6676903-B2 APPARATUS FOR USE IN THE DETECTION AND QUANTIFICATION OF PREFERENTIAL PARTICLES IN SAMPLE GENERAL ELECTRIC COMPANY 2004-01-13 — — 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 (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-20100217040-A1 2, 2', 6, 6'- TETRASUBSTITUTED AMINOPHOSPHINE LIGAND AND ITS SYNTHESIS METHOD PDCD1LG2, ERBB2, PTK6 TDP1 4502/4885S100A4 3991/4885GPR35 1764/4885

“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.