SCHEMBL5496538

SCHEMBL5496538

Cn1ncc(NC(=O)CCCCNC(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.43
HDAC1 Q13547 17/20 0.43
NAMPT P43490 1/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
NCOR2 Q9Y618 2/20 0.39

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
SCHEMBL5496615 0.97 HDAC1 (0.40) HDAC3HDAC1NAMPTHDAC2HDAC8
SCHEMBL5494715 0.93 ITGB3 (0.36) HDAC3HDAC1
SCHEMBL27641152 0.88 SOAT1 (0.46)
SCHEMBL5493337 0.87 CYP2C9 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL27620832 0.87 CETP (0.44)
SCHEMBL27620815 0.85 CYP3A4 (0.44)
SCHEMBL5493797 0.85 NTRK1 (0.42)
SCHEMBL3114923 0.84 NTRK1 (0.34)
SCHEMBL5499949 0.84 KMT2A (0.36) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL6426568 0.83 MEN1 (0.38) HDAC3HDAC1

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 8 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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (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 HDAC3 2475/4885HDAC1 4035/4885NAMPT 4434/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 HDAC3 2434/4885HDAC1 4104/4885NAMPT 4577/4885

“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.