SCHEMBL13311852

SCHEMBL13311852

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.55
▸ CAPN1 P07384 2/20 0.53
▸ FOLH1 Q04609 2/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44

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 0.93 TDP1 (0.61) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL14524233 0.93 TDP1 (0.54) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL14524270 0.93 TDP1 (0.54) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13311792 0.93 TDP1 (0.54) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL14524231 0.93 TDP1 (0.54) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13432796 0.93 TDP1 (0.54) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13311807 0.92 TDP1 (0.56) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13311789 0.92 TDP1 (0.51) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13311812 0.92 TDP1 (0.56) TDP1CAPN1FOLH1MEN1ABL1
SCHEMBL13432545 0.91 TDP1 (0.51) TDP1CAPN1FOLH1MEN1ABL1

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 2 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-20100160210-A1 GUANIDINIUM DELIVERY CARRIERS NITTO DENKO CORPORATION (JP) 2010-06-24 — — 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 (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-20100160210-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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