SCHEMBL13245374

SCHEMBL13245374

C[C@@H](N)[C@H](NC(=O)c1ccc(C#Cc2ccc(CNC3CCCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
ACACB O00763 3/20 0.49
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL13984845 1.00 HDAC1 (0.55) HDAC1ACACBPDE4APDE4BPDE4C
SCHEMBL13984851 0.98 HDAC1 (0.52) HDAC1ACACB
SCHEMBL13245385 0.98 HDAC1 (0.52) HDAC1ACACB
SCHEMBL13984843 0.96 HDAC1 (0.48) HDAC1ACACB
SCHEMBL18023375 0.96 HDAC1 (0.48) HDAC1ACACB
SCHEMBL13245354 0.96 HDAC1 (0.48) HDAC1ACACB
SCHEMBL13245516 0.96 HDAC1 (0.48) HDAC1ACACB
SCHEMBL13245032 0.92 HDAC1 (0.46) HDAC1
SCHEMBL405819 0.91 HDAC1 (0.56) HDAC1ACACB
SCHEMBL13267409 0.91 HDAC1 (0.58) HDAC1PDE4APDE4BPDE4CPDE4D

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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC1 702/4885ACACB 3224/4885PDE4A 1601/4885

“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.