SCHEMBL220133

SCHEMBL220133

Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
SLC6A7 Q99884 17/20 0.72
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.72
KDM4E B2RXH2 1/20 0.68
SLC6A3 Q01959 1/20 0.61

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
SCHEMBL9999686 0.85 KDM4E (0.68) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149359 0.85 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL95079 0.85 L3MBTL1 (0.74) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL17378234 0.82 NAMPT (0.69) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL20261717 0.82 CA12 (0.73) ALDH1A1KDM4E
SCHEMBL13149347 0.81 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149314 0.81 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149365 0.81 SLC6A7 (0.70) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL3583123 0.81 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRSLC6A3
SCHEMBL3585264 0.81 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E

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
US-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES SHIFA BIOMEDICAL CORP (US) 2018-03-22 US disclosed
US-20150376139-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
EP-2264014-A1 Substituted pyridazines as anti-inflammatory agents and protein kinase inhibitors Université Louis Pasteur (FR) 2010-12-22 EP disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death UNIVERSITE DE STRASBOURG (FR) 2006-04-06 US disclosed
EP-1430033-A4 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE UNIV NORTHWESTERN (US) 2004-12-15 EP disclosed
EP-1430033-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2004-06-23 EP disclosed
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-09-18 US disclosed
WO-2003018563-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2003-03-06 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 (5 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-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES PCSK9, PCSK7, PCSK6 L3MBTL1 2242/4885SLC6A7 4396/4885ALDH1A1 4302/4885
US-20150376139-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES PCSK9, PCSK7, PCSK6 L3MBTL1 2242/4885SLC6A7 4396/4885ALDH1A1 4302/4885
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 L3MBTL1 1685/4885SLC6A7 4596/4885ALDH1A1 4515/4885
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 L3MBTL1 1685/4885SLC6A7 4596/4885ALDH1A1 4515/4885
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 L3MBTL1 1685/4885SLC6A7 4596/4885ALDH1A1 4515/4885

“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.