SCHEMBL18418014

SCHEMBL18418014

C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)ccc2C3=NOCOP(=O)(OC(C)(C)C)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 3/20 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
SCHEMBL18418020 0.96 NPSR1 (0.41) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18418003 0.88 NPSR1 (0.53) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18417995 0.88 NPSR1 (0.53) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL19627526 0.88 NPSR1 (0.48) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18462326 0.88 NPSR1 (0.48) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18422583 0.87 HTT (0.57) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18422582 0.87 HTT (0.57) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18417990 0.86 KDM4E (0.50) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18417999 0.86 KDM4E (0.50) KDM4ENPSR1MAPTHPGDNPC1
SCHEMBL18417998 0.84 NPSR1 (0.46) KDM4ENPSR1MAPTHPGDNPC1

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 9 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-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-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-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
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 KDM4E 1909/4885NPSR1 4260/4885MAPT 4739/4885
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A KDM4E 1909/4885NPSR1 4260/4885MAPT 4739/4885

“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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