SCHEMBL4889304

SCHEMBL4889304

CC(C)C(NC(=O)C(CC1CCCC1)CN(O)C=O)C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 1/20 0.39
PRKAA2 P54646 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ACACB O00763 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 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
SCHEMBL4602758 1.00 NPC1 (0.45) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4602310 0.91 NPC1 (0.43) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4886956 0.91 NPC1 (0.43) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4602765 0.88 NPC1 (0.43) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4887987 0.82 TSHR (0.41) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4887977 0.82 TSHR (0.41) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL4603007 0.81 NPC1 (0.41) NPC1RAB9ATSHR
SCHEMBL4602312 0.81 NPC1 (0.43) NPC1RAB9AEPHX2PRKAA2PRKAB2
SCHEMBL2794993 0.80 MLNR (0.39)
SCHEMBL2794988 0.80 MLNR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234333-A1 Novel Hydroxamic Acid Derivative as Peptide Deformylase Inhibitor and Manufacturing Method Thereof KANG JAE-HOON 2008-09-25 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-20080234333-A1 Novel Hydroxamic Acid Derivative as Peptide Deformylase Inhibitor and Manufacturing Method Thereof PDF, PEPD, DHPS NPC1 2506/4885RAB9A 2582/4885EPHX2 2553/4885

“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.