SCHEMBL5493346

SCHEMBL5493346

Cn1ncc(NC(=O)N2CC(NC(=O)O)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRIN2B Q13224 2/20 0.34
RBP4 P02753 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KAT2B Q92831 6/20 0.33
TRPV1 Q8NER1 4/20 0.33
BRD9 Q9H8M2 3/20 0.33
BRD1 O95696 1/20 0.33
ACHE P22303 1/20 0.33
BRPF1 P55201 1/20 0.33
BPTF Q12830 1/20 0.33
KAT2A Q92830 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33

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
SCHEMBL5496605 0.92 HDAC1 (0.39) HDAC1HDAC2HDAC3KDM4E
SCHEMBL5497058 0.92 HDAC1 (0.39) HDAC1HDAC2HDAC3KDM4E
SCHEMBL5499584 0.92 HDAC1 (0.39) HDAC1HDAC2HDAC3KDM4E
SCHEMBL27620833 0.88 HDAC3 (0.41) HDAC1HDAC2HDAC3
SCHEMBL5493793 0.83 KDM4E (0.42) KDM4ETRPV1
SCHEMBL3119092 0.82 LPAR1 (0.38) KDM4EKAT2BBRD9BPTF
SCHEMBL6430075 0.81 HDAC3 (0.49) HDAC1HDAC2HDAC3CYP2C9
SCHEMBL27620821 0.81 HDAC3 (0.49) HDAC1HDAC2HDAC3CYP2C9
SCHEMBL27620834 0.81 RORC (0.36) CHRM4KDM4EGRIN2BRBP4CYP3A4
SCHEMBL5493786 0.81 USP30 (0.42) TRPV1

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.