SCHEMBL4872952

SCHEMBL4872952

Cc1ccnc(NNC(=O)C2(CN(O)C=O)CCC(C)(C)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK10 P53779 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK8 P45983 1/20 0.34
GSK3A P49840 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
RIOK2 Q9BVS4 1/20 0.34
SNRK Q9NRH2 1/20 0.34

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
SCHEMBL4863389 0.91 RAB9A (0.39) ALDH1A1LMNAPOLBHDAC1HDAC6
SCHEMBL4871749 0.84 ALDH1A1 (0.43) ALDH1A1LMNAPOLBHDAC1HDAC6
SCHEMBL4864173 0.81 KDM4E (0.33) ALDH1A1POLBRAB9ASMN1; SMN2NPC1
SCHEMBL4868006 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHDAC1HDAC6RAB9A
SCHEMBL4864460 0.77
SCHEMBL4864265 0.76 GAA (0.39)
SCHEMBL4867298 0.72 KDM4E (0.34) POLBKMT2AL3MBTL1KDM4E
SCHEMBL4872971 0.71 ALDH1A1 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4869256 0.71 SRC (0.31)
SCHEMBL4866379 0.69 POLB (0.35) ALDH1A1POLBKMT2ATSHRKDM4E

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 5 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 claimed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US claimed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO claimed
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 ALDH1A1 4302/4885LMNA 2515/4885POLB 2001/4885

“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.