SCHEMBL15929441

SCHEMBL15929441

CNC12CNCCNCC(NCc3ccc(O)cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
ALOX12 P18054 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL22236871 0.86 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15929459 0.82 LOXL2 (0.36) ALDH1A1MAPTLMNARECQLCNR2
SCHEMBL15929436 0.79 DNM1 (0.32)
SCHEMBL15929435 0.78 MGLL (0.45) ALDH1A1MAPTHPGDMAPK1HSP90AA1
SCHEMBL22236839 0.77 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15929460 0.77 BCHE (0.47) ALDH1A1GAAALOX15HDAC6HDAC8
SCHEMBL15929410 0.76 MAPT (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15928065 0.76 IDO1 (0.39) SIGMAR1MAPTMEN1KMT2AKDM4E
SCHEMBL13223330 0.75 KMT2A (0.46) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL15929457 0.75 HDAC6 (0.34) ALDH1A1MEN1KMT2AHPGDHDAC6

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 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885
US-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885
US-20200308182-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885
US-10717741-B2 Cryptate compounds HCCS, SQOR, NQO1 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885
US-11535623-B2 Cryptate compounds HCCS, SQOR, NQO1 TMEM97 4313/4885SIGMAR1 4122/4885ALDH1A1 241/4885

“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.