SCHEMBL220689

SCHEMBL220689

NCCCCCC(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
HTR7 P34969 1/20 0.52
ESR1 P03372 1/20 0.52
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49

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
SCHEMBL2739515 0.84 HTR7 (0.64) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL7491437 0.84 KDM4E (0.59) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL31475491 0.84 KDM4E (0.56) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL1374673 0.83 HDAC1 (0.60) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL13593277 0.82 KDM4E (0.62) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL5888051 0.82 KDM4E (0.60) KDM4EHTTALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL5887944 0.80 KDM4E (0.58) KDM4EHTTALDH1A1MAPTTSHR
Ammonia Solution, Strong SCHEMBL5888116 0.80 KDM4E (0.58) KDM4EHTTALDH1A1MAPTMAPK1
SCHEMBL7365515 0.80 KDM4E (0.71) KDM4EHTTALDH1A1MAPTTSHR
SCHEMBL28961035 0.80 TIPARP (0.61) ALDH1A1MAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 KDM4E 1828/4885HTT 2933/4885ALDH1A1 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 KDM4E 1828/4885HTT 2933/4885ALDH1A1 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 KDM4E 1828/4885HTT 2933/4885ALDH1A1 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.