SCHEMBL18237095

SCHEMBL18237095

N=C(N)NCCCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCC(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 9/20 0.49
▸ HDAC11 Q96DB2 9/20 0.49
▸ HDAC6 Q9UBN7 9/20 0.49
▸ HDAC1 Q13547 8/20 0.49
▸ HDAC2 Q92769 8/20 0.49
▸ HDAC10 Q969S8 8/20 0.49
▸ HDAC8 Q9BY41 8/20 0.49
▸ NCOR2 Q9Y618 2/20 0.49
▸ FURIN P09958 1/20 0.46
▸ CTSL P07711 2/20 0.46
▸ NPY4R P50391 7/20 0.43
▸ NPY1R P25929 5/20 0.43
▸ NPY2R P49146 3/20 0.43
▸ NPY5R Q15761 3/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL23336282 0.86 CTSL (0.46) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL1371046 0.83 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5R
SCHEMBL18237099 0.81 NPY4R (0.58) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL18237218 0.81 NPY4R (0.58) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL18237102 0.81 CTSL (0.56) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL18237127 0.81 NPY4R (0.58) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL16948275 0.81 NPY4R (0.58) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL18233929 0.81 NPY4R (0.58) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL18237092 0.80 NPY4R (0.57) CTSLNPY4RNPY1RNPY2RNPY5R
SCHEMBL31430950 0.79 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R

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-10787483-B2 Antimicrobial peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-09-29 — — US disclosed
US-20160333048-A1 Antimicrobial Peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-17 — — 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-20160333048-A1 Antimicrobial Peptidomimetics MLX, MLEC, MRPL21 HDAC3 2152/4885HDAC11 834/4885HDAC6 1667/4885
US-10787483-B2 Antimicrobial peptidomimetics MLX, MLEC, MRPL21 HDAC3 2152/4885HDAC11 834/4885HDAC6 1667/4885

“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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