SCHEMBL573259

SCHEMBL573259

NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.46
CASP6 P55212 1/20 0.46
TPMT P51580 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
VCAM1 P19320 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL31108456 1.00 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL135289 0.86 CASP6 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
Methylamine SCHEMBL11877019 0.85 TSHR (0.44) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL7826598 0.85 VCAM1 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL13543308 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL16581035 0.83 LMNA (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL573521 0.83 VCAM1 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL2876091 0.82 LMNA (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL13283938 0.82 LMNA (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL3146159 0.82 CASP6 (0.60) ALDH1A1LMNACASP6TPMTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954694-A Bumetat preparation process of nylon 海南卓科制药有限公司 2025-05-09 CN claimed
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN claimed
CN-100494172-C Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2009-06-03 CN claimed
CN-101033206-A Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2007-09-12 CN claimed
EP-0068408-A1 Antiviral compositions and a method for treating virus diseases Mochida Pharmaceutical Co., Ltd. (JP) 1983-01-05 EP claimed
EP-0068407-A1 Aminosulfonylbenzoic acid derivatives HODOGAYA CHEMICAL CO., LTD. (JP) 1983-01-05 EP claimed
US-20260132103-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-05-14 US disclosed
CN-119954694-B Bumetat preparation process of nylon 海南卓科制药有限公司 2025-10-24 CN disclosed
CN-119954694-A Bumetat preparation process of nylon 海南卓科制药有限公司 2025-05-09 CN disclosed
CN-119954694-A Bumetat preparation process of nylon 海南卓科制药有限公司 2025-05-09 CN disclosed
CN-117567326-A Preparation method of bumetanide 山东诺明康药物研究院有限公司 2024-02-20 CN disclosed
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN disclosed
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed
US-3992440-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-11-16 US disclosed
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 US disclosed
US-3982018-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-09-21 US disclosed
US-3939267-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 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-20260132103-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs CLIC1, SLC6A1, KCNC1 ALDH1A1 670/4885CYP1A2 3368/4885CYP2D6 2481/4885

“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.