SCHEMBL6359840

SCHEMBL6359840

CC(C)(C)OC(=O)Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LCK P06239 7/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSMB8 P28062 1/20 0.34
GLS O94925 1/20 0.32
HTT P42858 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
SCHEMBL9148031 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6238941 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6238936 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL5148637 0.83 CA1 (0.39) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL9079524 0.83 CA1 (0.37) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL5148633 0.83 CA1 (0.39) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL9122699 0.82 CA1 (0.40) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL9122704 0.82 CA1 (0.40) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2877170 0.81 GAA (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2877172 0.81 GAA (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB

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-20050267092-A1 Novel cephalosporin compounds and process for preparing the same LG LEF SCIENCES LTD. (KR) 2005-12-01 US disclosed
US-5389626-A 3-aryloxmethyl-cephalosporin derivatives, and their medical use SANKYO COMPANY, LIMITED (JP) 1995-02-14 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-20050267092-A1 Novel cephalosporin compounds and process for preparing the same PEPD, CTRC, CHLSN NPC1 658/4885RAB9A 1419/4885SMN1; SMN2 2977/4885

“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.