SCHEMBL15929435

SCHEMBL15929435

CNC12CNCCNCC(NCc3ccc(N4C(=O)C=CC4=O)cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.45
FAAH O00519 6/20 0.45
HSP90AA1 P07900 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CACNA1B Q00975 2/20 0.33
APBA1 Q02410 2/20 0.33
LMNA P02545 1/20 0.33
CCR6 P51684 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 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
SCHEMBL15928046 0.94 MGLL (0.47) MGLLFAAHHSP90AA1TDP1NPSR1
SCHEMBL15929409 0.90 MGLL (0.48) MGLLFAAHHSP90AA1TDP1NPSR1
SCHEMBL15928048 0.88 MGLL (0.42) MGLLFAAHHSP90AA1TDP1NPSR1
SCHEMBL15929441 0.78 TMEM97 (0.36) HSP90AA1MAPK1ALDH1A1LMNAHPGD
SCHEMBL22236871 0.77 MEN1 (0.38) TDP1NPSR1ALDH1A1LMNAHTT
SCHEMBL22236844 0.75 CA12 (0.35) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL15929461 0.74 LOXL2 (0.41) TDP1ALDH1A1LMNAMAPT
SCHEMBL15929459 0.74 LOXL2 (0.36) ALDH1A1LMNAMAPT
SCHEMBL22488344 0.72 MGLL (0.37) MGLLFAAHHSP90AA1TDP1ALDH1A1
SCHEMBL18133295 0.72 MGLL (0.39) MGLLFAAHHSP90AA1TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542267-B2 Cryptate compounds AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2023-01-03 US disclosed
US-20200308182-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2020-10-01 US disclosed
US-10717741-B2 Cryptate compounds AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2020-07-21 US disclosed
US-20140219915-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2014-08-07 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 (4 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-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 MGLL 4179/4885FAAH 3726/4885HSP90AA1 3157/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 MGLL 4179/4885FAAH 3726/4885HSP90AA1 3157/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 MGLL 4179/4885FAAH 3726/4885HSP90AA1 3157/4885
US-10717741-B2 Cryptate compounds HCCS, SQOR, NQO1 MGLL 4179/4885FAAH 3726/4885HSP90AA1 3157/4885

“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.