SCHEMBL4870898

SCHEMBL4870898

Cc1ccnc(NNC(=O)C(C2C[C@@H](C)C[C@@H](C)C2)N(O)C=O)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FASN P49327 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
SYK P43405 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL4866392 0.90 POLB (0.36) POLBKDM4EFASNL3MBTL1LMNA
SCHEMBL4867317 0.86 HTT (0.40) POLBKDM4EHTTFASNL3MBTL1
SCHEMBL4870936 0.86 GAA (0.41) GAASYK
SCHEMBL4873664 0.84 KDM4E (0.36) POLBKDM4EHTTTDP1FASN
SCHEMBL4864188 0.84 SYK (0.36) POLBKDM4EFASNL3MBTL1EPHX2
SCHEMBL4870371 0.83 POLB (0.36) POLBKDM4EFASNL3MBTL1EPHX2
SCHEMBL4864197 0.77 NPC1 (0.32) NPC1RAB9A
SCHEMBL4864629 0.76 GAA (0.41) GAASYK
SCHEMBL4867247 0.75 SYK (0.38) RAB9AALDH1A1SYKHPGD
SCHEMBL4862605 0.74 ABL1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 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 (1 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 POLB 2001/4885KDM4E 2591/4885HTT 2931/4885

“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.