SCHEMBL2387342

SCHEMBL2387342

O=C(O)CCCc1nc2cc(-c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC56CC7CC(CC(C7)C5)C6)c([N+](=O)[O-])c4)cc3)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 18/20 0.42
BCL2 P10415 15/20 0.42
AURKA O14965 1/20 0.40
PLK1 P53350 1/20 0.40
DYRK1A Q13627 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
AURKB Q96GD4 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
BAD Q92934 1/20 0.40
MCL1 Q07820 7/20 0.40
BAK1 Q16611 1/20 0.38

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
SCHEMBL2389340 0.91 BCL2L1 (0.38) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2943213 0.90 BCL2L1 (0.43) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2951650 0.88 BCL2L1 (0.39) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2949357 0.87 BCL2 (0.44) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2944901 0.85 BCL2L1 (0.38) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2944693 0.81 BCL2L1 (0.59) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2953391 0.78 BCL2L1 (0.51) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2952249 0.78 BCL2L1 (0.62) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2950847 0.78 BCL2L1 (0.51) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2945360 0.78 BCL2L1 (0.51) BCL2L1BCL2AURKAPLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP claimed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP claimed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US 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 (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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2L1 953/4885BCL2 520/4885AURKA 3875/4885
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885AURKA 4154/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885AURKA 4154/4885

“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.