SCHEMBL2386889

SCHEMBL2386889

O=C(NS(=O)(=O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.44
BCL2 P10415 14/20 0.42
AURKA O14965 1/20 0.40
PLK1 P53350 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
SCHEMBL2389704 0.90 MEN1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2942415 0.77 BCL2 (0.51) ALDH1A1MAPTSMN1; SMN2HTTBCL2
SCHEMBL2951985 0.77 BCL2L1 (0.62) ALDH1A1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL14655243 0.76 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2386189 0.75 BCL2L1 (0.50) ALDH1A1MAPTSMN1; SMN2HTTBCL2
SCHEMBL2389878 0.74 BCL2L1 (0.49) ALDH1A1MAPTSMN1; SMN2HTTBCL2
SCHEMBL5743504 0.74 BCL2 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2386192 0.73 BCL2L1 (0.48) ALDH1A1MAPTSMN1; SMN2HTTBCL2
SCHEMBL2388445 0.73 BCL2L1 (0.49) ALDH1A1MAPTSMN1; SMN2HTTBCL2
SCHEMBL2942495 0.72 BCL2 (0.57) ALDH1A1MAPTSMN1; SMN2HTTBCL2

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 18 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
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP claimed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US claimed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US claimed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US claimed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO claimed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 US claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
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 (4 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 ALDH1A1 545/4885MAPT 1762/4885SMN1; SMN2 595/4885
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885SMN1; SMN2 2848/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885SMN1; SMN2 2848/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA ALDH1A1 194/4885MAPT 1460/4885SMN1; SMN2 839/4885

“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.