SCHEMBL15929455

SCHEMBL15929455

[N-]=[N+]=Nc1ccc(CNC23CNCCNCC(NCc4ccc(N=[N+]=[N-])cc4)(CNCCNC2)CNCCNC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
CYP51A1 Q16850 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TP53 P04637 1/20 0.32
CXCR3 P49682 1/20 0.31
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL15929456 0.93 DNM1 (0.32) DNM1CYP51A1CA1CA2CA5A
SCHEMBL15929412 0.93 DNM1 (0.32) DNM1CYP51A1CXCR3ALDH1A1MAPT
SCHEMBL15928041 0.93 DNM1 (0.32) DNM1CYP51A1CXCR3ALDH1A1MAPT
SCHEMBL15929436 0.93 DNM1 (0.32) DNM1CYP51A1CXCR3
SCHEMBL19099646 0.74 LOXL2 (0.39) CA1CA2CA5ACA9CA5B
SCHEMBL22236839 0.74 MEN1 (0.43) ALDH1A1MAPT
SCHEMBL22236849 0.74 HDAC3 (0.33)
SCHEMBL15928065 0.74 IDO1 (0.39) MAPT
SCHEMBL15928055 0.74 LMNA (0.33) ALDH1A1MAPT
SCHEMBL22479277 0.71 DNM1 (0.33) DNM1

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 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885
US-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885
US-10717741-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885
US-11535623-B2 Cryptate compounds HCCS, SQOR, NQO1 DNM1 4449/4885CYP51A1 112/4885CA1 221/4885

“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.