SCHEMBL5558308

SCHEMBL5558308

C[C@H](NC(=O)[C@H](C)Nc1cccc2ccccc12)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47

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
Hydrochloric Acid SCHEMBL8740054 0.99 MAPT (0.50) KDM4EGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8740058 0.99 MAPT (0.50) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL8746847 0.90 KDM4E (0.59) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL3250893 0.90 KDM4E (0.59) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4847170 0.87 MEN1 (0.52) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4847147 0.87 MEN1 (0.52) KDM4EGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7437016 0.86 MEN1 (0.51) KDM4EGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7437004 0.86 MEN1 (0.51) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL9850610 0.85 KMT2A (0.53) KDM4EGAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9850533 0.84 KMT2A (0.52) KDM4EGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO disclosed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 WO 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF KDM4E 3630/4885GAA 1083/4885MAPT 4430/4885

“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.