SCHEMBL23810200

SCHEMBL23810200

CC(C)CC(C(=O)NCCCCNC(=O)c1ccc(CN=[N+]=[N-])nc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GCGR P47871 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22149715 0.83 KDM4E (0.40) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL23810141 0.82 KDM4E (0.40) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL23810201 0.81 KDM4E (0.45) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL15285087 0.78 MAPK1 (0.53) KDM4EKDM4CHDAC3HDAC1HDAC2
SCHEMBL16560328 0.76 KDM4E (0.41) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL23810206 0.76 KDM4E (0.41) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL20804067 0.76 KDM4E (0.38) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL27934649 0.75 KDM4E (0.38) KDM4ERAB9ANPC1KDM4CHDAC3
SCHEMBL15299581 0.75 GABRA5 (0.45) KDM4EKMT2AMEN1MAPT
SCHEMBL15285036 0.75 MAOB (0.44) KDM4ERAB9ANPC1KDM4CHDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-09-16 — — 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 (1 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-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS POLL, PCNA, DNMT3A KDM4E 3663/4885RAB9A 4844/4885NPC1 4679/4885

“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.

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