SCHEMBL13815082

SCHEMBL13815082

COc1ccc(NC(=O)[C@H](N)CCCNC(=N)N)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 10/20 0.44
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39

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
SCHEMBL13815093 0.93 AAK1 (0.43) AAK1LMNAPOLBCHEK1NPY1R
SCHEMBL10262675 0.92 NPY4R (0.42) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL12444369 0.92 NPY4R (0.42) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL16285905 0.92 NPY4R (0.42) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL15138938 0.92 NPY4R (0.42) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL19945118 0.90 NPY4R (0.43) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL13973873 0.89 LMNA (0.42) LMNAMEN1KMT2APOLB
SCHEMBL13973694 0.89 NPY4R (0.41) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL10262721 0.89 NPY4R (0.41) AAK1LMNAMEN1KMT2ANPY1R
SCHEMBL12515411 0.89 NPY4R (0.41) AAK1LMNAMEN1KMT2ANPY1R

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-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. 2014-02-20 — — US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 — — 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-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF AAK1 3707/4885LMNA 3716/4885MEN1 1338/4885

“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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