SCHEMBL2697697

SCHEMBL2697697

NS(=O)(=O)c1ccc(N(C2CCCCC2)N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.48
LMNA P02545 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL28131027 0.79 MAPT (0.48) HTTLMNANPC1RAB9AMAPT
SCHEMBL27671287 0.77 ALDH1A1 (0.53) HTTLMNANPC1RAB9AMAPT
SCHEMBL16037787 0.77 HTT (0.53) HTTLMNANPC1RAB9AMAPT
SCHEMBL523814 0.76 HTT (0.52) HTTLMNANPC1RAB9AMAPT
SCHEMBL1957936 0.75 HTT (0.52) HTTLMNANPC1RAB9AMAPT
SCHEMBL28618385 0.74 HTT (0.48) HTTLMNANPC1RAB9AMAPT
SCHEMBL1700194 0.74 HTT (0.48) HTTLMNANPC1RAB9AMAPT
SCHEMBL1699965 0.74 HTT (0.48) HTTLMNANPC1RAB9AMAPT
SCHEMBL1867757 0.73 CA2 (0.46) HTTLMNANPC1RAB9AMAPT
SCHEMBL1699986 0.72 HTT (0.45) HTTLMNANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 US disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-106008322-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-10-12 CN disclosed
CN-106008466-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES 艾伯维公司 2016-10-12 CN disclosed
CN-102307622-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2016-08-17 CN disclosed
CN-102307872-B BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-06-15 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 CN disclosed
CN-103167867-A Solid dispersions containing an apoptosis-inducing agent ABBOTT LAB 2013-06-19 CN disclosed
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 CN disclosed
CN-102947285-A Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBOTT LAB 2013-02-27 CN disclosed
US-20120277210-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-11-01 US disclosed
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 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 (3 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-20120277210-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 HTT 3628/4885LMNA 1073/4885NPC1 1553/4885
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTT 3503/4885LMNA 2720/4885NPC1 4443/4885
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 HTT 3948/4885LMNA 1739/4885NPC1 2014/4885

“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.