SCHEMBL13780264

SCHEMBL13780264

CCOc1ccc(CC(N)C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
ACACB O00763 12/20 0.52
ALDH1A1 P00352 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NQO1 P15559 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL13663555 1.00 PARP10 (0.54) PARP10ACACBALDH1A1ITGB3ITGA2B
SCHEMBL6865304 0.88 ACACB (0.54) PARP10ACACBITGB3ITGA2BMEN1
SCHEMBL14355744 0.88 ACACB (0.54) PARP10ACACBITGB3ITGA2BMEN1
SCHEMBL15593886 0.87 ITGB3 (0.57) ACACBITGB3ITGA2BCYP1A2
SCHEMBL16816291 0.87 ITGB3 (0.57) ACACBITGB3ITGA2BCYP1A2
SCHEMBL158880 0.87 ITGB3 (0.64) PARP10ACACBALDH1A1ITGB3ITGA2B
SCHEMBL158881 0.87 ITGB3 (0.64) PARP10ACACBALDH1A1ITGB3ITGA2B
SCHEMBL2036599 0.87 ITGB3 (0.64) PARP10ACACBALDH1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816881 0.86 ITGB3 (0.56) ACACBITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL16816877 0.86 ITGB3 (0.56) ACACBITGB3ITGA2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100534976-C S-1-(4-ethoxybenzyl)-3-azapentane-1,5 diamine preparation method JIANGSU INST OF NUCLEAR MED (CN) 2009-09-02 CN disclosed
US-20090176967-A1 Conjugation of FVII NOVO NORDISK HEALTHCARE A/G (CH) 2009-07-09 US disclosed
CN-101007775-A S-1-(4-ethoxybenzyl)-3-azapentane-1,5 diamine preparation method JIANGSU INST OF NUCLEAR MED (CN) 2007-08-01 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-20090176967-A1 Conjugation of FVII F13B, F13A1, FGB PARP10 2011/4885ACACB 2868/4885ALDH1A1 4528/4885

“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.