SCHEMBL5500866

SCHEMBL5500866

Cn1ncc(NC(=O)C2CN(C(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
PARP2 Q9UGN5 4/20 0.41
NTRK1 P04629 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
USP30 Q70CQ3 3/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 1/20 0.38
TACR1 P25103 1/20 0.38
BUB1 O43683 1/20 0.38
STS P08842 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5499882 0.91 PTPN2 (0.50) PARP1PARP2PTPN2PTPN1PTPN6
SCHEMBL5500438 0.88 KMT2A (0.33) KDM4E
SCHEMBL5493786 0.87 USP30 (0.42) USP30NAMPTRORC
SCHEMBL5493363 0.84 MAPT (0.44) NAMPTKDM4EPKM
SCHEMBL5500964 0.82 USP30 (0.51) PARP1USP30
SCHEMBL27620833 0.79 HDAC3 (0.41) PARP1NTRK1USP30NAMPTRORC
Pivalate SCHEMBL27620840 0.79 SSTR4 (0.37) PARP1PARP2NTRK1
SCHEMBL5492751 0.78 NTRK1 (0.44) PARP1PARP2NTRK1PTPN2PTPN1
SCHEMBL27620821 0.77 HDAC3 (0.49) PARP1NTRK1USP30NAMPT
SCHEMBL6430075 0.77 HDAC3 (0.49) PARP1NTRK1USP30NAMPT

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 10 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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN 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
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN 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 PARP1 2930/4885PARP2 2788/4885NTRK1 2964/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 PARP1 2343/4885PARP2 2145/4885NTRK1 3809/4885

“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.