SCHEMBL13612917

SCHEMBL13612917

[N-]=[N+]=NCC(=O)c1ccccc1N=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ BCHE P06276 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
SCHEMBL19142094 0.80 — —
SCHEMBL13605783 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL21296274 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDUSP2MAPT
SCHEMBL23780884 0.78 ERCC5 (0.49) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL22705525 0.78 CA2 (0.31) ALDH1A1CA2CA9
SCHEMBL30455952 0.78 ERCC5 (0.49) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL27351381 0.78 MAPT (0.42) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL14718066 0.76 MEN1 (0.43) KDM4EALDH1A1HPGDUSP2LMNA
SCHEMBL21303861 0.74 TSHR (0.46) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL29926304 0.74 TSHR (0.46) KDM4EALDH1A1HPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL F2R 4268/4885KDM4E 2144/4885ALDH1A1 535/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL F2R 4268/4885KDM4E 2144/4885ALDH1A1 535/4885

“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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