SCHEMBL15929412

SCHEMBL15929412

CCNC12CNCCNCC(NCc3ccc(N=[N+]=[N-])cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP51A1 Q16850 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
CNR2 P34972 1/20 0.31
CXCR3 P49682 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
SCHEMBL15929455 0.93 DNM1 (0.35) DNM1CYP51A1ALDH1A1MAPTCXCR3
SCHEMBL15929436 0.90 DNM1 (0.32) DNM1CYP51A1CXCR3
SCHEMBL15928041 0.90 DNM1 (0.32) DNM1PTGS2CYP51A1LMNAALDH1A1
SCHEMBL15929456 0.87 DNM1 (0.32) DNM1CYP51A1
SCHEMBL22479280 0.78 MEN1 (0.38) LMNAALDH1A1MAPTRECQLCNR2
SCHEMBL15929407 0.77 LMNA (0.35) LMNAALDH1A1MAPTRECQLCNR2
SCHEMBL15929419 0.73 MAPT (0.41) LMNAALDH1A1MAPT
SCHEMBL15929421 0.72 HDAC3 (0.41) LMNAALDH1A1MAPT
SCHEMBL15929409 0.71 MGLL (0.48) LMNAALDH1A1MAPTRECQL
SCHEMBL15929426 0.70 GRIN2D (0.39)

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 5 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-20200308182-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2020-10-01 US disclosed
US-20200308183-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2020-10-01 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 (5 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 DNM1 4449/4885PTGS2 2072/4885CYP51A1 112/4885
US-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885PTGS2 2072/4885CYP51A1 112/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885PTGS2 2072/4885CYP51A1 112/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885PTGS2 2072/4885CYP51A1 112/4885
US-11535623-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885PTGS2 2072/4885CYP51A1 112/4885

“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.