Sugi Predict

Sugi Predict / Compounds / SCHEMBL2967553

SCHEMBL2967553

SCHEMBL2967553

O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[KH]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NT5E P21589 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL2979886 1.00 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7999063 0.98 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2983082 0.98 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7026429 0.97 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium Ion SCHEMBL2983136 0.97 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7026439 0.97 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium SCHEMBL7999066 0.95 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2965804 0.86 KMT2A (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3205274 0.85 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium Ion SCHEMBL2979881 0.84 NT5E (0.47) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107776147-B A kind of fire retarding polyurethane synthetic leather 安徽创显电子科技有限公司 2019-10-08 — — CN claimed
CN-104830220-B Aqueous flame retardant polyurethane coating and the preparation method of adhesive 广州威迪仕汽车用品有限公司 2017-03-01 — — CN claimed
CN-106273997-A Preparation method of flame-retardant polyurethane synthetic leather 段宝荣 2017-01-04 — — CN claimed
CN-106087389-A Preparation method of flame-retardant polyurethane synthetic leather 段宝荣 2016-11-09 — — CN claimed
CN-104830220-A Preparation method for flame-retardant waterborne polyurethane coating and adhesive DUAN BAORONG 2015-08-12 — — CN claimed
CN-102964286-B Chiral pyrrolidine compound and preparation method thereof SHIJIAZHUANG WANSHANG MEDICAL TECHNOLOGY CO LTD 2014-06-25 — — CN claimed
CN-102964286-A Chiral pyrrolidine compound and preparation method thereof SHIJIAZHUANG WANSHANG MEDICAL TECHNOLOGY CO LTD 2013-03-13 — — CN claimed
CN-107988811-B Flame-retardant polyurethane synthetic leather 佛山市艾菲特自行车配件有限公司 2020-06-05 — — CN disclosed
CN-107776147-B A kind of fire retarding polyurethane synthetic leather 安徽创显电子科技有限公司 2019-10-08 — — CN disclosed
CN-104830220-B Aqueous flame retardant polyurethane coating and the preparation method of adhesive 广州威迪仕汽车用品有限公司 2017-03-01 — — CN disclosed
CN-106273997-A Preparation method of flame-retardant polyurethane synthetic leather 段宝荣 2017-01-04 — — CN disclosed
CN-106087389-A Preparation method of flame-retardant polyurethane synthetic leather 段宝荣 2016-11-09 — — CN disclosed
CN-104449325-B Nano material improves the preparation method of aqueous polyurethane coating anti-flammability 高仕邦邯郸新材料科技有限公司 2016-09-28 — — CN disclosed
US-7781611-B2 Nitro-sulfobenzamides AVENTIS CROPSCIENCE GMBH (DE) 2010-08-24 — — US disclosed
EP-1242386-B1 NITRO-SULFOBENZAMIDES BAYER CROPSCIENCE AG (DE) 2009-08-26 — — EP disclosed
US-6518455-B1 from the corresponding symmetric stilbene compounds of the formula aqueous ozonolysis and subsequent isolation of an aldehyde or oxidation to give the corresponding carboxylic acid. DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-02-11 — — US disclosed
EP-1242386-A1 NITRO-SULFOBENZAMIDES Bayer CropScience GmbH (DE) 2002-09-25 — — EP disclosed
US-20010020092-A1 Nitro-sulfobenzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-09-06 — — US disclosed
WO-2001042226-A1 NITRO-SULFOBENZAMIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-06-14 — — WO disclosed
US-6127572-A Process for preparing 2-carboxy-5-nitrobenzenesulfonic acid and salts thereof by oxidation HOECHST SCHERING AGREVO GMBH (DE) 2000-10-03 — — 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-20010020092-A1 Nitro-sulfobenzamides SULT1A1, SULT2A1, SULT1E1 ALDH1A1 605/4885TDP1 3688/4885CYP3A4 299/4885

“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.