SCHEMBL2387562

SCHEMBL2387562

NS(=O)(=O)c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.59
MAPT P10636 9/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HCAR3 P49019 3/20 0.51
GAA P10253 3/20 0.50
PKM P14618 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DOT1L Q8TEK3 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
XBP1 P17861 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
SCHEMBL1700329 0.92 WNK1 (0.54) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1700327 0.92 WNK1 (0.54) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1699924 0.89 WNK1 (0.51) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1542018 0.88 WNK1 (0.70) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL30921518 0.88 WNK1 (0.50) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1699910 0.88 WNK1 (0.50) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1700110 0.88 WNK1 (0.50) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL1699907 0.88 WNK1 (0.50) WNK1MAPTPOLBTDP1HCAR3
SCHEMBL16037632 0.87 MAPT (0.54) WNK1MAPTPOLBTDP1GAA
SCHEMBL24775192 0.87 WNK1 (0.49) WNK1MAPTPOLBTDP1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114073707-A Compositions and methods for treating systemic lupus erythematosus 苏州亚盛药业有限公司 2022-02-22 CN disclosed
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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 (2 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 WNK1 4342/4885MAPT 4105/4885POLB 1831/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 WNK1 4342/4885MAPT 4105/4885POLB 1831/4885

“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.