SCHEMBL22552890

SCHEMBL22552890

COC(=O)C(N=[N+]=[N-])C1CC2CCC1C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL2997519 0.77 HPGD (0.46) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL486988 0.75 HPGD (0.47) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL15974565 0.73 HPGD (0.50) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL31332733 0.72 HPGD (0.45) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL20825485 0.72 HPGD (0.45) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL2999547 0.70 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL24441184 0.69 SLC6A3 (0.31) ALDH1A1
SCHEMBL16369438 0.69 TP53 (0.41)
SCHEMBL2997520 0.68 HPGD (0.44) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL6854602 0.67 ATM (0.43) ALDH1A1HPGDLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 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 (2 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ALDH1A1 4279/4885HPGD 3877/4885LMNA 637/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ALDH1A1 4279/4885HPGD 3877/4885LMNA 637/4885

“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.