SCHEMBL555137

SCHEMBL555137

CN(C)C(=O)CC(N)CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
FFAR1 O14842 1/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
EGFR P00533 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL376741 1.00 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540828 0.85 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL19144898 0.85 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540432 0.85 MAOA (0.51) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL10175212 0.83 MTNR1A (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL376564 0.82 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL10175128 0.82 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL25236742 0.82 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL25274884 0.82 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540560 0.81 MTNR1A (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2013-07-18 US disclosed
US-8338466-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
EP-2387559-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083442-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO 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 (8 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MAOA 2934/4885MAOB 2914/4885MTNR1A 3457/4885
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAOA 4356/4885MAOB 3866/4885MTNR1A 3900/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAOA 4366/4885MAOB 4000/4885MTNR1A 3932/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAOA 4356/4885MAOB 3866/4885MTNR1A 3900/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 MAOA 3289/4885MAOB 1743/4885MTNR1A 3368/4885

“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.