SCHEMBL1246018

SCHEMBL1246018

N[C@@H](CC(=O)O)C(=O)NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 9/20 0.44
HDAC4 P56524 8/20 0.44
HDAC3 O15379 7/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC10 Q969S8 7/20 0.44
HDAC11 Q96DB2 7/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC9 Q9UKV0 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
SCN9A Q15858 1/20 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
SCHEMBL12890836 1.00 KDM4E (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL1244246 1.00 KDM4E (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL1246013 1.00 KDM4E (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL12890596 0.97 HDAC1 (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL12890845 0.97 HDAC1 (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL12890825 0.92 SCN9A (0.46) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL10084240 0.90 HDAC1 (0.49) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL10084307 0.90 HDAC1 (0.49) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL10084115 0.88 HDAC1 (0.40) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL12890597 0.88 HDAC1 (0.47) KDM4EMEN1ALDH1A1MAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 KDM4E 661/4885MEN1 4742/4885ALDH1A1 3712/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 KDM4E 2628/4885MEN1 4525/4885ALDH1A1 2512/4885

“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.