SCHEMBL18422347

SCHEMBL18422347

[CH2]ON=C1c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C(=NO)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ POLB P06746 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 3/20 0.45

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
SCHEMBL18422222 1.00 MAPT (0.58) MAPTNPSR1KDM4EHPGDNPC1
Tegavivint SCHEMBL14947676 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
Tegavivint SCHEMBL29372288 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
Tegavivint SCHEMBL29489537 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
Tegavivint SCHEMBL13366899 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
SCHEMBL13366831 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
Tegavivint SCHEMBL31694538 0.91 NPSR1 (0.68) MAPTNPSR1KDM4EHPGDNPC1
SCHEMBL18426421 0.89 NPSR1 (0.62) MAPTNPSR1KDM4EHPGDNPC1
SCHEMBL20302801 0.88 KDM4E (0.72) MAPTNPSR1KDM4EHPGDNPC1
SCHEMBL19611410 0.88 NPSR1 (0.55) MAPTNPSR1KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328819-B1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUNDS PRODRUGS AND THEIR USES BETA CAT PHARMACEUTICALS INC (US) 2020-04-01 — — EP disclosed
US-9963475-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-11-23 — — US disclosed
US-9725473-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-02-02 — — 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-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A MAPT 4739/4885NPSR1 4260/4885KDM4E 1909/4885
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A MAPT 4739/4885NPSR1 4260/4885KDM4E 1909/4885

“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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