SCHEMBL5498488

SCHEMBL5498488

Cn1ncc(NC(=O)CCNC(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.35
HDAC3 O15379 7/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
HCAR2 Q8TDS4 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C8 P10632 1/20 0.34
SHMT2 P34897 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIN1 Q13526 1/20 0.32
LDHA P00338 1/20 0.32

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
SCHEMBL20540627 0.87 NTRK1 (0.39) ITGB3ITGAVKMT2AALDH1A1
SCHEMBL5500971 0.82 POLB (0.32) HDAC1HDAC3HCAR2CYP2C9SHMT2
SCHEMBL5497757 0.80 BRD9 (0.36) HDAC1HDAC3KMT2ARAB9ASMN1; SMN2
SCHEMBL6065170 0.80 HTT (0.47) KMT2ARAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL5501908 0.79 NTRK1 (0.32)
SCHEMBL16078095 0.77 L3MBTL1 (0.44) HDAC1HDAC3SHMT2KMT2ARAB9A
SCHEMBL15856849 0.77 NTRK1 (0.37) KMT2AL3MBTL1POLB
SCHEMBL3115689 0.77 ANPEP (0.36)
SCHEMBL16592911 0.77 GLA (0.34) HDAC1HDAC3KMT2ARAB9AHDAC2
SCHEMBL3105959 0.76 ANPEP (0.40)

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 HDAC1 4035/4885HDAC3 2475/4885ITGB3 3428/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 HDAC1 4104/4885HDAC3 2434/4885ITGB3 3678/4885

“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.