SCHEMBL2386352

SCHEMBL2386352

C[C@@H]1[C@@H](Nc2ccc(-c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCCCC5)c([N+](=O)[O-])c4)cc3)cc2)C[C@H]2C[C@@H]1C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCL2 P10415 14/20 0.42
BCL2L1 Q07817 12/20 0.42
DYRK1A Q13627 2/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
PLK1 P53350 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
BAD Q92934 1/20 0.41
MCL1 Q07820 9/20 0.41
CHEK1 O14757 1/20 0.39
NTRK1 P04629 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39

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
SCHEMBL15876233 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2BCL2
SCHEMBL15876235 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2BCL2
SCHEMBL2386349 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2BCL2
SCHEMBL2389793 0.94 BCL2 (0.41) ALDH1A1MAPTHTTSMN1; SMN2BCL2
SCHEMBL2389799 0.94 BCL2 (0.41) ALDH1A1MAPTHTTSMN1; SMN2BCL2
SCHEMBL19424634 0.90 CHEK1 (0.41) ALDH1A1MAPTHTTSMN1; SMN2BCL2L1
SCHEMBL11973839 0.85 TDP1 (0.36)
SCHEMBL2948550 0.82 BCL2L1 (0.51) BCL2BCL2L1DYRK1AAURKBAURKA
SCHEMBL2384522 0.82 BCL2 (0.47) BCL2BCL2L1
SCHEMBL2384514 0.82 BCL2 (0.47) BCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 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
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-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-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 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
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
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 ALDH1A1 545/4885MAPT 1762/4885HTT 356/4885
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885HTT 3493/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885HTT 3493/4885

“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.