SCHEMBL15929436

SCHEMBL15929436

CNC12CNCCNCC(NCc3ccc(N=[N+]=[N-])cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.32
CYP51A1 Q16850 1/20 0.32
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) DNM1CYP51A1CXCR3
SCHEMBL15929412 0.90 DNM1 (0.32) DNM1CYP51A1CXCR3
SCHEMBL15928041 0.90 DNM1 (0.32) DNM1CYP51A1CXCR3
SCHEMBL15929456 0.87 DNM1 (0.32) DNM1CYP51A1
SCHEMBL15929441 0.79 TMEM97 (0.36)
SCHEMBL22236871 0.78 MEN1 (0.38)
SCHEMBL15929459 0.77 LOXL2 (0.36)
SCHEMBL15929461 0.73 LOXL2 (0.41)
SCHEMBL15929462 0.72 HDAC8 (0.41)
SCHEMBL15929435 0.71 MGLL (0.45)

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-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-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 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885
US-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885
US-10717741-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885
US-11535623-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CXCR3 337/4885

“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.