SCHEMBL5497058

SCHEMBL5497058

Cn1ncc(NC(=O)N2CCC(NC(=O)O)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL5499584 1.00 HDAC1 (0.39) HDAC1HDAC2HDAC3MEN1GAA
SCHEMBL5496605 1.00 HDAC1 (0.39) HDAC1HDAC2HDAC3MEN1GAA
SCHEMBL5493346 0.92 HDAC1 (0.35) HDAC1HDAC2HDAC3KDM4E
SCHEMBL27620821 0.89 HDAC3 (0.49) HDAC1HDAC2HDAC3KMT2AL3MBTL1
SCHEMBL6430075 0.89 HDAC3 (0.49) HDAC1HDAC2HDAC3KMT2AL3MBTL1
SCHEMBL5495007 0.86 TRPV1 (0.40) USP30TSHRKDM4E
SCHEMBL6427739 0.86 TRPV1 (0.40) USP30TSHRKDM4E
SCHEMBL6427673 0.83 ALDH1A1 (0.36) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL6425495 0.83 ALDH1A1 (0.36) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL5500964 0.82 USP30 (0.51) USP30LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 HDAC1 4035/4885HDAC2 4005/4885HDAC3 2475/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 HDAC1 4104/4885HDAC2 3849/4885HDAC3 2434/4885

“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.