SCHEMBL13311807

SCHEMBL13311807

CC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NCCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.56
▸ CAPN1 P07384 2/20 0.50
▸ FOLH1 Q04609 2/20 0.45
▸ CNR1 P21554 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP2 P42575 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ NPY4R P50391 3/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 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
SCHEMBL13311908 0.96 TDP1 (0.61) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL13311789 0.94 TDP1 (0.51) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL13432545 0.94 TDP1 (0.51) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL13311883 0.94 TDP1 (0.57) TDP1CAPN1FOLH1CASP3CASP1
SCHEMBL13311913 0.92 TDP1 (0.58) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL13311852 0.92 TDP1 (0.55) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL16327114 0.91 TDP1 (0.58) TDP1CAPN1FOLH1CASP3CASP1
SCHEMBL13432796 0.90 TDP1 (0.54) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL14524231 0.90 TDP1 (0.54) TDP1CAPN1FOLH1CNR1CASP3
SCHEMBL14524270 0.90 TDP1 (0.54) TDP1CAPN1FOLH1CNR1CASP3

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
US-20100160210-A1 GUANIDINIUM DELIVERY CARRIERS NITTO DENKO CORPORATION (JP) 2010-06-24 — — US disclosed
US-7687603-B2 Guanidinium delivery carriers NITTO DENKO CORPORATION (JP) 2010-03-30 — — US disclosed
US-20070078094-A1 Guanidinium delivery carriers NITTO DENKO CORPORATION (JP) 2007-04-05 — — US 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 (2 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-20100160210-A1 GUANIDINIUM DELIVERY CARRIERS SLC2A9, SLC29A2, SLC2A4 TDP1 1606/4885CAPN1 2600/4885FOLH1 288/4885
US-20070078094-A1 Guanidinium delivery carriers SLC2A9, SLC29A2, SLC2A4 TDP1 1606/4885CAPN1 2600/4885FOLH1 288/4885

“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.

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