SCHEMBL22503746

SCHEMBL22503746

NCCCC[C@H](N)C(=O)NC(Cc1ccc(F)c(F)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MMP2 P08253 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
ITGB3 P05106 5/20 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
SCHEMBL20540700 0.89 MME (0.53) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL20540701 0.89 MME (0.53) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL22503806 0.89 MME (0.53) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL20540518 0.88 MMP2 (0.51) MMEMMP2ACECPA1ACE2
SCHEMBL22503668 0.87 MME (0.52) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL20540706 0.86 HDAC3 (0.52) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL22503741 0.86 MME (0.46) MMEHDAC3HDAC4HDAC1HDAC7
SCHEMBL20540523 0.85 MME (0.49) MMEACECPA1ACE2
SCHEMBL20540525 0.85 MME (0.49) MMEACECPA1ACE2
SCHEMBL22503689 0.85 MME (0.49) MMEACECPA1ACE2

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-20210054025-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME UNIV INDIANA RES & TECH CORP (US) 2021-02-25 US disclosed
US-10793594-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-10-06 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-10793594-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same CD47, CGAS, FPR1 MME 150/4885HDAC3 428/4885HDAC4 356/4885
US-20210054025-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME CD47, CGAS, FPR1 MME 150/4885HDAC3 428/4885HDAC4 356/4885

“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.