SCHEMBL15929442

SCHEMBL15929442

NC12CNCCNCC(NCc3ccncc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
SSTR3 P32745 1/20 0.33
NAMPT P43490 1/20 0.32
EPHX1 P07099 1/20 0.32
MAPT P10636 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL15928051 0.84 IDO1 (0.37) KDM4ECYP2D6CYP3A4MAPTMEN1
SCHEMBL876031 0.83 LOXL2 (0.34) LMNACYP3A4LOXL2ALDH1A1EPHX1
SCHEMBL19763309 0.83 LOXL2 (0.34) LMNACYP3A4LOXL2ALDH1A1EPHX1
SCHEMBL22236838 0.82 MEN1 (0.38) KDM4EGAALMNAALDH1A1SMN1; SMN2
SCHEMBL15928053 0.82 HDAC3 (0.33) ALDH1A1MAPT
SCHEMBL15928040 0.82 HDAC3 (0.35) KDM4EGAALMNAALDH1A1SMN1; SMN2
SCHEMBL19365160 0.79 HDAC3 (0.30)
SCHEMBL15928042 0.78 HDAC3 (0.31) LMNA
SCHEMBL22236849 0.78 HDAC3 (0.33)
SCHEMBL25161934 0.77 HDAC3 (0.33) LMNAALDH1A1MAPT

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 6 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-11535623-B2 Cryptate compounds AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2022-12-27 US disclosed
US-20200308183-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2020-10-01 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 (6 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-20200308183-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885
US-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885
US-10717741-B2 Cryptate compounds HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885
US-11535623-B2 Cryptate compounds HCCS, SQOR, NQO1 KDM4E 3530/4885GAA 1766/4885LMNA 2573/4885

“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.