SCHEMBL4926549

SCHEMBL4926549

N[C@@H](CCCNC1CCCCC1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.43
METAP1 P53582 1/20 0.41
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 2/20 0.41
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CXCL12 P48061 1/20 0.36
HDAC1 Q13547 1/20 0.36
EPHX1 P07099 5/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2263297 0.79 GSR (0.46) CXCR4METAP1ANPEPERAP2TAAR1
SCHEMBL2263302 0.79 GSR (0.46) CXCR4METAP1ANPEPERAP2TAAR1
SCHEMBL4935380 0.79 HDAC1 (0.58) HDAC1EPHX1SMN1; SMN2EPHX2ALDH1A1
SCHEMBL4932913 0.77 KEAP1 (0.48) HDAC1EPHX1RAB9ASMN1; SMN2EPHX2
SCHEMBL4935449 0.75 HDAC3 (0.53) KDM4EHDAC1EPHX1RAB9ASMN1; SMN2
SCHEMBL4935440 0.75 HDAC3 (0.53) KDM4EHDAC1EPHX1RAB9ASMN1; SMN2
SCHEMBL2235588 0.75 METAP1 (0.50) METAP1CYP3A4
SCHEMBL2235591 0.75 METAP1 (0.50) METAP1CYP3A4
SCHEMBL3592432 0.71 CPB2 (0.49) KDM4EEPHX1RAB9ASMN1; SMN2EPHX2
SCHEMBL28337863 0.71 CPB2 (0.49) KDM4EEPHX1RAB9ASMN1; SMN2EPHX2

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 CXCR4 4719/4885METAP1 756/4885ANPEP 848/4885

“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.