SCHEMBL5848939

SCHEMBL5848939

O=C(O)CCCNc1ncccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL6670720 0.94 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL17234481 0.88 ALDH1A1 (0.60) ALDH1A1HPGDLMNAKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL6496568 0.85 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2KMT2ACDC25A
SCHEMBL13007600 0.83 ALDH1A1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5849540 0.80 LMNA (0.57) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL3131322 0.79 KDM4E (0.53) LMNAKMT2AKDM4EGRIN2DGRIN3B
SCHEMBL4394126 0.79 ITGB3 (0.64) ALDH1A1SMN1; SMN2GAAITGB3ITGAV
SCHEMBL18794901 0.78 ALDH1A1 (0.52) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL5509361 0.78 ALDH1A1 (0.52) ALDH1A1HPGDLMNAKMT2AGAA
SCHEMBL10767538 0.77 MAPK1 (0.49) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
CN-1146541-C Beta-alanine derivatives Ĭ��ר���ɷ����޹�˾ 2004-04-21 CN disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
CN-1340046-A Beta-alanine derivatives MERCK PATENT GMBH (DE) 2002-03-13 CN 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 (1 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 ALDH1A1 3346/4885HPGD 119/4885LMNA 4352/4885

“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.